3-[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-1-methoxy-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]cyclobutane-1-carboxamide;3-hydroxy-1-methoxy-3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-pyridinyl]-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]cyclobutane-1-carboxamide;3-hydroxy-1-methoxy-3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]cyclobutane-1-carboxamide;1-methoxy-3-[6-methyl-2-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-4-yl]-N-[[5-(4-methylpyrazol-1-yl)pyrazin-2-yl]methyl]cyclobutane-1-carboxamide

C105H122ClN33O10 — CID 158032638

IUPAC3-[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-1-methoxy-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]cyclobutane-1-carboxamide;3-hydroxy-1-methoxy-3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-pyridinyl]-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]cyclobutane-1-carboxamide;3-hydroxy-1-methoxy-3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]cyclobutane-1-carboxamide;1-methoxy-3-[6-methyl-2-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-4-yl]-N-[[5-(4-methylpyrazol-1-yl)pyrazin-2-yl]methyl]cyclobutane-1-carboxamide
SMILESCOC1(C(=O)NCc2cnc(-n3cc(C)cn3)cn2)CC(c2cc(C)nc(Cc3cc(C)[nH]n3)n2)C1.COC1(C(=O)N[C@@H](C)c2ccc(-n3cc(C)cn3)nc2)CC(O)(c2cc(C)cc(Cc3cc(C)[nH]n3)n2)C1.COC1(C(=O)N[C@@H](C)c2ccc(-n3cc(C)cn3)nc2)CC(O)(c2nc(C)cc(Cc3cc(C)[nH]n3)n2)C1.COC1(C(=O)N[C@@H](C)c2ccc(-n3cc(C)cn3)nc2)CC(c2ncc(Cl)c(Nc3cc(C)[nH]n3)n2)C1
InChIInChI=1S/C28H33N7O3.C27H32N8O3.C25H28ClN9O2.C25H29N9O2/c1-17-8-22(11-23-10-19(3)33-34-23)32-24(9-17)27(37)15-28(16-27,38-5)26(36)31-20(4)21-6-7-25(29-13-21)35-14-18(2)12-30-35;1-16-11-29-35(13-16)23-7-6-20(12-28-23)19(4)31-25(36)27(38-5)14-26(37,15-27)24-30-17(2)8-21(32-24)10-22-9-18(3)33-34-22;1-14-10-29-35(13-14)21-6-5-17(11-27-21)16(3)30-24(36)25(37-4)8-18(9-25)22-28-12-19(26)23(32-22)31-20-7-15(2)33-34-20;1-15-10-29-34(14-15)23-13-26-20(11-27-23)12-28-24(35)25(36-4)8-18(9-25)21-6-16(2)30-22(31-21)7-19-5-17(3)32-33-19/h6-10,12-14,20,37H,11,15-16H2,1-5H3,(H,31,36)(H,33,34);6-9,11-13,19,37H,10,14-15H2,1-5H3,(H,31,36)(H,33,34);5-7,10-13,16,18H,8-9H2,1-4H3,(H,30,36)(H2,28,31,32,33,34);5-6,10-11,13-14,18H,7-9,12H2,1-4H3,(H,28,35)(H,32,33)/t20-,27?,28?;19-,26?,27?;16-,18?,25?;/m000./s1
InChIKeyFHJBQXKQJTXHGE-WHGPGMJLSA-N
MW2041.80 g/mol
LogP11.89
Rot. Bonds32

About 3-[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-1-methoxy-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]cyclobutane-1-carboxamide;3-hydroxy-1-methoxy-3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-pyridinyl]-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]cyclobutane-1-carboxamide;3-hydroxy-1-methoxy-3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]cyclobutane-1-carboxamide;1-methoxy-3-[6-methyl-2-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-4-yl]-N-[[5-(4-methylpyrazol-1-yl)pyrazin-2-yl]methyl]cyclobutane-1-carboxamide

3-[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-1-methoxy-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]cyclobutane-1-carboxamide;3-hydroxy-1-methoxy-3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-pyridinyl]-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]cyclobutane-1-carboxamide;3-hydroxy-1-methoxy-3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]cyclobutane-1-carboxamide;1-methoxy-3-[6-methyl-2-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-4-yl]-N-[[5-(4-methylpyrazol-1-yl)pyrazin-2-yl]methyl]cyclobutane-1-carboxamide (PubChem CID 158032638) has the molecular formula C105H122ClN33O10 and a molecular weight of 2041.80 g/mol. Its IUPAC name is 3-[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-1-methoxy-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]cyclobutane-1-carboxamide;3-hydroxy-1-methoxy-3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-pyridinyl]-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]cyclobutane-1-carboxamide;3-hydroxy-1-methoxy-3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]cyclobutane-1-carboxamide;1-methoxy-3-[6-methyl-2-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-4-yl]-N-[[5-(4-methylpyrazol-1-yl)pyrazin-2-yl]methyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name3-[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-1-methoxy-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]cyclobutane-1-carboxamide;3-hydroxy-1-methoxy-3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-pyridinyl]-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]cyclobutane-1-carboxamide;3-hydroxy-1-methoxy-3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]cyclobutane-1-carboxamide;1-methoxy-3-[6-methyl-2-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-4-yl]-N-[[5-(4-methylpyrazol-1-yl)pyrazin-2-yl]methyl]cyclobutane-1-carboxamide
PubChem CID158032638
Molecular FormulaC105H122ClN33O10
Molecular Weight2041.80 g/mol
Exact Mass2039.97
IUPAC Name3-[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-1-methoxy-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]cyclobutane-1-carboxamide;3-hydroxy-1-methoxy-3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-pyridinyl]-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]cyclobutane-1-carboxamide;3-hydroxy-1-methoxy-3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]cyclobutane-1-carboxamide;1-methoxy-3-[6-methyl-2-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-4-yl]-N-[[5-(4-methylpyrazol-1-yl)pyrazin-2-yl]methyl]cyclobutane-1-carboxamide
SMILESCOC1(C(=O)NCc2cnc(-n3cc(C)cn3)cn2)CC(c2cc(C)nc(Cc3cc(C)[nH]n3)n2)C1.COC1(C(=O)N[C@@H](C)c2ccc(-n3cc(C)cn3)nc2)CC(O)(c2cc(C)cc(Cc3cc(C)[nH]n3)n2)C1.COC1(C(=O)N[C@@H](C)c2ccc(-n3cc(C)cn3)nc2)CC(O)(c2nc(C)cc(Cc3cc(C)[nH]n3)n2)C1.COC1(C(=O)N[C@@H](C)c2ccc(-n3cc(C)cn3)nc2)CC(c2ncc(Cl)c(Nc3cc(C)[nH]n3)n2)C1
InChIInChI=1S/C28H33N7O3.C27H32N8O3.C25H28ClN9O2.C25H29N9O2/c1-17-8-22(11-23-10-19(3)33-34-23)32-24(9-17)27(37)15-28(16-27,38-5)26(36)31-20(4)21-6-7-25(29-13-21)35-14-18(2)12-30-35;1-16-11-29-35(13-16)23-7-6-20(12-28-23)19(4)31-25(36)27(38-5)14-26(37,15-27)24-30-17(2)8-21(32-24)10-22-9-18(3)33-34-22;1-14-10-29-35(13-14)21-6-5-17(11-27-21)16(3)30-24(36)25(37-4)8-18(9-25)22-28-12-19(26)23(32-22)31-20-7-15(2)33-34-20;1-15-10-29-34(14-15)23-13-26-20(11-27-23)12-28-24(35)25(36-4)8-18(9-25)21-6-16(2)30-22(31-21)7-19-5-17(3)32-33-19/h6-10,12-14,20,37H,11,15-16H2,1-5H3,(H,31,36)(H,33,34);6-9,11-13,19,37H,10,14-15H2,1-5H3,(H,31,36)(H,33,34);5-7,10-13,16,18H,8-9H2,1-4H3,(H,30,36)(H2,28,31,32,33,34);5-6,10-11,13-14,18H,7-9,12H2,1-4H3,(H,28,35)(H,32,33)/t20-,27?,28?;19-,26?,27?;16-,18?,25?;/m000./s1
InChIKeyFHJBQXKQJTXHGE-WHGPGMJLSA-N
XLogP11.89
TPSA546.49 Ų
H-Bond Donors11
H-Bond Acceptors35
Rotatable Bonds32
Heavy Atoms149
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002041.80
LogP ≤ 511.89
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1035

Analyze 3-[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-1-methoxy-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]cyclobutane-1-carboxamide;3-hydroxy-1-methoxy-3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-pyridinyl]-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]cyclobutane-1-carboxamide;3-hydroxy-1-methoxy-3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]cyclobutane-1-carboxamide;1-methoxy-3-[6-methyl-2-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-4-yl]-N-[[5-(4-methylpyrazol-1-yl)pyrazin-2-yl]methyl]cyclobutane-1-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

(3R)-1-[3-fluoro-1-methyl-3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]cyclobutyl]-3-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]butan-1-one;3-hydroxy-1-methoxy-3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-pyridinyl]-N-[(2S)-1-[6-(4-methylpyrazol-1-yl)-2-pyridinyl]propan-2-yl]cyclobutane-1-carboxamide;1-methoxy-3-[6-methyl-2-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]-N-[(1S)-1-[5-(4-methylpyrazol-1-yl)pyrazin-2-yl]ethyl]cyclobutane-1-carboxamide;1-methoxy-3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]cyclobutane-1-carboxamide
CID 157190415
3-[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]cyclobutane-1-carboxamide;bis(3-fluoro-3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]cyclobutane-1-carboxamide);3-hydroxy-N-methyl-3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]cyclobutane-1-carboxamide;(3R)-1-[3-methoxy-3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]cyclobutyl]-3-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]butan-1-one;1-methoxy-3-[6-methyl-2-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]-N-[[5-(4-methylpyrazol-1-yl)pyrazin-2-yl]methyl]cyclobutane-1-carboxamide
CID 158653801
bis((3R)-1-[3-hydroxy-1-methyl-3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]cyclobutyl]-3-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]butan-1-one);1-methoxy-3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]cyclobutane-1-carboxamide;1-methoxy-3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(1S)-1-[5-(4-methylpyrazol-1-yl)pyrazin-2-yl]ethyl]cyclobutane-1-carboxamide;1-methoxy-3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]cyclobutane-1-carboxamide;1-methoxy-3-[6-methyl-2-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]cyclobutane-1-carboxamide
CID 158795485
3-hydroxy-3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]cyclobutane-1-carboxamide;1-methoxy-3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[[5-(4-methylpyrazol-1-yl)pyrazin-2-yl]methyl]cyclobutane-1-carboxamide;1-methyl-3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(1S)-1-[5-(4-methylpyrazol-1-yl)pyrazin-2-yl]ethyl]cyclobutane-1-carboxamide;bis(1-methyl-3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]cyclobutane-1-carboxamide);3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,3,5-triazin-2-yl]-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]cyclobutane-1-carboxamide
CID 161639094
3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-pyridinyl]-N-[(1R)-1-[5-(4-methylpyrazol-1-yl)pyrazin-2-yl]ethyl]cyclobutane-1-carboxamide;3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-pyridinyl]-N-[(1S)-1-[6-(3-methylpyrazol-1-yl)-3-pyridinyl]ethyl]cyclobutane-1-carboxamide;3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-pyridinyl]-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]cyclobutane-1-carboxamide;3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-pyridinyl]-N-[(1R)-1-(6-pyrazol-1-yl-3-pyridinyl)ethyl]cyclobutane-1-carboxamide;3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-pyridinyl]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]cyclobutane-1-carboxamide;3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]cyclobutane-1-carboxamide
CID 162123049
tris(4-[3-cyano-5-fluoro-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]-N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1-methoxycyclohexane-1-carboxamide);tris(4-[3-cyano-4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]-N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1-methoxycyclohexane-1-carboxamide);tris(3-[3-cyano-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]-N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-3-hydroxycyclobutane-1-carboxamide);sulfane
CID 167650161
(3R)-3-hydroxy-5-[6-[6-[4-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]triazol-1-yl]-2-pyridinyl]-2-[[(1R)-1-(1-methylpyrazol-4-yl)ethyl]amino]pyrimidin-4-yl]-1-methyl-3-[1-[6-[2-[[(1S)-1-(1-methylpyrazol-4-yl)ethyl]amino]pyrimidin-4-yl]-2-pyridinyl]triazol-4-yl]pyrrolidin-2-one
CID 170573567

Frequently Asked Questions

What is the IUPAC name of 3-[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-1-methoxy-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]cyclobutane-1-carboxamide;3-hydroxy-1-methoxy-3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-pyridinyl]-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]cyclobutane-1-carboxamide;3-hydroxy-1-methoxy-3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]cyclobutane-1-carboxamide;1-methoxy-3-[6-methyl-2-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-4-yl]-N-[[5-(4-methylpyrazol-1-yl)pyrazin-2-yl]methyl]cyclobutane-1-carboxamide?
The IUPAC name of 3-[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-1-methoxy-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]cyclobutane-1-carboxamide;3-hydroxy-1-methoxy-3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-pyridinyl]-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]cyclobutane-1-carboxamide;3-hydroxy-1-methoxy-3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]cyclobutane-1-carboxamide;1-methoxy-3-[6-methyl-2-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-4-yl]-N-[[5-(4-methylpyrazol-1-yl)pyrazin-2-yl]methyl]cyclobutane-1-carboxamide (CID 158032638) is 3-[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-1-methoxy-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]cyclobutane-1-carboxamide;3-hydroxy-1-methoxy-3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-pyridinyl]-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]cyclobutane-1-carboxamide;3-hydroxy-1-methoxy-3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]cyclobutane-1-carboxamide;1-methoxy-3-[6-methyl-2-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-4-yl]-N-[[5-(4-methylpyrazol-1-yl)pyrazin-2-yl]methyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 3-[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-1-methoxy-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]cyclobutane-1-carboxamide;3-hydroxy-1-methoxy-3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-pyridinyl]-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]cyclobutane-1-carboxamide;3-hydroxy-1-methoxy-3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]cyclobutane-1-carboxamide;1-methoxy-3-[6-methyl-2-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-4-yl]-N-[[5-(4-methylpyrazol-1-yl)pyrazin-2-yl]methyl]cyclobutane-1-carboxamide?
The canonical SMILES for 3-[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-1-methoxy-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]cyclobutane-1-carboxamide;3-hydroxy-1-methoxy-3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-pyridinyl]-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]cyclobutane-1-carboxamide;3-hydroxy-1-methoxy-3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]cyclobutane-1-carboxamide;1-methoxy-3-[6-methyl-2-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-4-yl]-N-[[5-(4-methylpyrazol-1-yl)pyrazin-2-yl]methyl]cyclobutane-1-carboxamide is COC1(C(=O)NCc2cnc(-n3cc(C)cn3)cn2)CC(c2cc(C)nc(Cc3cc(C)[nH]n3)n2)C1.COC1(C(=O)N[C@@H](C)c2ccc(-n3cc(C)cn3)nc2)CC(O)(c2cc(C)cc(Cc3cc(C)[nH]n3)n2)C1.COC1(C(=O)N[C@@H](C)c2ccc(-n3cc(C)cn3)nc2)CC(O)(c2nc(C)cc(Cc3cc(C)[nH]n3)n2)C1.COC1(C(=O)N[C@@H](C)c2ccc(-n3cc(C)cn3)nc2)CC(c2ncc(Cl)c(Nc3cc(C)[nH]n3)n2)C1.
What is the InChIKey of 3-[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-1-methoxy-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]cyclobutane-1-carboxamide;3-hydroxy-1-methoxy-3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-pyridinyl]-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]cyclobutane-1-carboxamide;3-hydroxy-1-methoxy-3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]cyclobutane-1-carboxamide;1-methoxy-3-[6-methyl-2-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-4-yl]-N-[[5-(4-methylpyrazol-1-yl)pyrazin-2-yl]methyl]cyclobutane-1-carboxamide?
The InChIKey is FHJBQXKQJTXHGE-WHGPGMJLSA-N. The full InChI is InChI=1S/C28H33N7O3.C27H32N8O3.C25H28ClN9O2.C25H29N9O2/c1-17-8-22(11-23-10-19(3)33-34-23)32-24(9-17)27(37)15-28(16-27,38-5)26(36)31-20(4)21-6-7-25(29-13-21)35-14-18(2)12-30-35;1-16-11-29-35(13-16)23-7-6-20(12-28-23)19(4)31-25(36)27(38-5)14-26(37,15-27)24-30-17(2)8-21(32-24)10-22-9-18(3)33-34-22;1-14-10-29-35(13-14)21-6-5-17(11-27-21)16(3)30-24(36)25(37-4)8-18(9-25)22-28-12-19(26)23(32-22)31-20-7-15(2)33-34-20;1-15-10-29-34(14-15)23-13-26-20(11-27-23)12-28-24(35)25(36-4)8-18(9-25)21-6-16(2)30-22(31-21)7-19-5-17(3)32-33-19/h6-10,12-14,20,37H,11,15-16H2,1-5H3,(H,31,36)(H,33,34);6-9,11-13,19,37H,10,14-15H2,1-5H3,(H,31,36)(H,33,34);5-7,10-13,16,18H,8-9H2,1-4H3,(H,30,36)(H2,28,31,32,33,34);5-6,10-11,13-14,18H,7-9,12H2,1-4H3,(H,28,35)(H,32,33)/t20-,27?,28?;19-,26?,27?;16-,18?,25?;/m000./s1.
What are the key properties of 3-[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-1-methoxy-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]cyclobutane-1-carboxamide;3-hydroxy-1-methoxy-3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-pyridinyl]-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]cyclobutane-1-carboxamide;3-hydroxy-1-methoxy-3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]cyclobutane-1-carboxamide;1-methoxy-3-[6-methyl-2-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-4-yl]-N-[[5-(4-methylpyrazol-1-yl)pyrazin-2-yl]methyl]cyclobutane-1-carboxamide?
3-[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-1-methoxy-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]cyclobutane-1-carboxamide;3-hydroxy-1-methoxy-3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-pyridinyl]-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]cyclobutane-1-carboxamide;3-hydroxy-1-methoxy-3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]cyclobutane-1-carboxamide;1-methoxy-3-[6-methyl-2-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-4-yl]-N-[[5-(4-methylpyrazol-1-yl)pyrazin-2-yl]methyl]cyclobutane-1-carboxamide has a molecular weight of 2041.80 g/mol, XLogP of 11.89, 32 rotatable bonds, 11 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-1-methoxy-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]cyclobutane-1-carboxamide;3-hydroxy-1-methoxy-3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-pyridinyl]-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]cyclobutane-1-carboxamide;3-hydroxy-1-methoxy-3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]cyclobutane-1-carboxamide;1-methoxy-3-[6-methyl-2-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-4-yl]-N-[[5-(4-methylpyrazol-1-yl)pyrazin-2-yl]methyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 158032638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).