bis(4-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-9-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-1-oxa-4-azaspiro[5.5]undecan-5-one);4-[(1R)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-9-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-1-oxa-4-azaspiro[5.5]undecan-5-one;4-[(1R)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-9-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-1-oxa-4,9-diazaspiro[5.5]undecan-5-one;9-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-4-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-5-one

C141H163F4N45O10 — CID 164959624

IUPACbis(4-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-9-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-1-oxa-4-azaspiro[5.5]undecan-5-one);4-[(1R)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-9-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-1-oxa-4-azaspiro[5.5]undecan-5-one;4-[(1R)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-9-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-1-oxa-4,9-diazaspiro[5.5]undecan-5-one;9-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-4-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-5-one
SMILESCc1cc(Cc2cc(C)[nH]n2)nc(N2CCC3(CC2)OCCN([C@H](C)c2ccc(-n4cc(F)cn4)nc2)C3=O)n1.Cc1cc(Nc2cc(C)[nH]n2)nc(C2CCC3(CC2)OCCN([C@@H](C)c2ccc(-n4cc(F)cn4)nc2)C3=O)n1.Cc1cc(Nc2cc(C)[nH]n2)nc(C2CCC3(CC2)OCCN([C@@H](C)c2ccc(-n4cc(F)cn4)nc2)C3=O)n1.Cc1cc(Nc2cc(C)[nH]n2)nc(C2CCC3(CC2)OCCN([C@H](C)c2ccc(-n4cc(F)cn4)nc2)C3=O)n1.Cc1cnn(-c2ccc([C@H](C)N3CCOC4(CCN(c5nc(C)cc(Cc6cc(C)[nH]n6)n5)CC4)C3=O)cn2)c1
InChIInChI=1S/C29H35N9O2.4C28H32FN9O2/c1-19-16-31-38(18-19)26-6-5-23(17-30-26)22(4)37-11-12-40-29(27(37)39)7-9-36(10-8-29)28-32-20(2)13-24(33-28)15-25-14-21(3)34-35-25;1-18-12-23(14-24-13-19(2)34-35-24)33-27(32-18)36-8-6-28(7-9-36)26(39)37(10-11-40-28)20(3)21-4-5-25(30-15-21)38-17-22(29)16-31-38;3*1-17-12-23(33-24-13-18(2)35-36-24)34-26(32-17)20-6-8-28(9-7-20)27(39)37(10-11-40-28)19(3)21-4-5-25(30-14-21)38-16-22(29)15-31-38/h5-6,13-14,16-18,22H,7-12,15H2,1-4H3,(H,34,35);4-5,12-13,15-17,20H,6-11,14H2,1-3H3,(H,34,35);3*4-5,12-16,19-20H,6-11H2,1-3H3,(H2,32,33,34,35,36)/t22-;20-;3*19-,20?,28?/m01100/s1
InChIKeyBQSXTKNAFNWDEC-STIVZGHXSA-N
MW2724.15 g/mol
LogP19.23
Rot. Bonds30

About bis(4-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-9-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-1-oxa-4-azaspiro[5.5]undecan-5-one);4-[(1R)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-9-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-1-oxa-4-azaspiro[5.5]undecan-5-one;4-[(1R)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-9-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-1-oxa-4,9-diazaspiro[5.5]undecan-5-one;9-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-4-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-5-one

bis(4-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-9-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-1-oxa-4-azaspiro[5.5]undecan-5-one);4-[(1R)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-9-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-1-oxa-4-azaspiro[5.5]undecan-5-one;4-[(1R)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-9-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-1-oxa-4,9-diazaspiro[5.5]undecan-5-one;9-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-4-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-5-one (PubChem CID 164959624) has the molecular formula C141H163F4N45O10 and a molecular weight of 2724.15 g/mol. Its IUPAC name is bis(4-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-9-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-1-oxa-4-azaspiro[5.5]undecan-5-one);4-[(1R)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-9-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-1-oxa-4-azaspiro[5.5]undecan-5-one;4-[(1R)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-9-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-1-oxa-4,9-diazaspiro[5.5]undecan-5-one;9-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-4-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-5-one.

Molecular Properties

Compound Namebis(4-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-9-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-1-oxa-4-azaspiro[5.5]undecan-5-one);4-[(1R)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-9-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-1-oxa-4-azaspiro[5.5]undecan-5-one;4-[(1R)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-9-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-1-oxa-4,9-diazaspiro[5.5]undecan-5-one;9-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-4-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-5-one
PubChem CID164959624
Molecular FormulaC141H163F4N45O10
Molecular Weight2724.15 g/mol
Exact Mass2722.36
IUPAC Namebis(4-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-9-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-1-oxa-4-azaspiro[5.5]undecan-5-one);4-[(1R)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-9-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-1-oxa-4-azaspiro[5.5]undecan-5-one;4-[(1R)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-9-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-1-oxa-4,9-diazaspiro[5.5]undecan-5-one;9-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-4-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-5-one
SMILESCc1cc(Cc2cc(C)[nH]n2)nc(N2CCC3(CC2)OCCN([C@H](C)c2ccc(-n4cc(F)cn4)nc2)C3=O)n1.Cc1cc(Nc2cc(C)[nH]n2)nc(C2CCC3(CC2)OCCN([C@@H](C)c2ccc(-n4cc(F)cn4)nc2)C3=O)n1.Cc1cc(Nc2cc(C)[nH]n2)nc(C2CCC3(CC2)OCCN([C@@H](C)c2ccc(-n4cc(F)cn4)nc2)C3=O)n1.Cc1cc(Nc2cc(C)[nH]n2)nc(C2CCC3(CC2)OCCN([C@H](C)c2ccc(-n4cc(F)cn4)nc2)C3=O)n1.Cc1cnn(-c2ccc([C@H](C)N3CCOC4(CCN(c5nc(C)cc(Cc6cc(C)[nH]n6)n5)CC4)C3=O)cn2)c1
InChIInChI=1S/C29H35N9O2.4C28H32FN9O2/c1-19-16-31-38(18-19)26-6-5-23(17-30-26)22(4)37-11-12-40-29(27(37)39)7-9-36(10-8-29)28-32-20(2)13-24(33-28)15-25-14-21(3)34-35-25;1-18-12-23(14-24-13-19(2)34-35-24)33-27(32-18)36-8-6-28(7-9-36)26(39)37(10-11-40-28)20(3)21-4-5-25(30-15-21)38-17-22(29)16-31-38;3*1-17-12-23(33-24-13-18(2)35-36-24)34-26(32-17)20-6-8-28(9-7-20)27(39)37(10-11-40-28)19(3)21-4-5-25(30-14-21)38-16-22(29)15-31-38/h5-6,13-14,16-18,22H,7-12,15H2,1-4H3,(H,34,35);4-5,12-13,15-17,20H,6-11,14H2,1-3H3,(H,34,35);3*4-5,12-16,19-20H,6-11H2,1-3H3,(H2,32,33,34,35,36)/t22-;20-;3*19-,20?,28?/m01100/s1
InChIKeyBQSXTKNAFNWDEC-STIVZGHXSA-N
XLogP19.23
TPSA616.12 Ų
H-Bond Donors8
H-Bond Acceptors45
Rotatable Bonds30
Heavy Atoms200
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002724.15
LogP ≤ 519.23
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1045

Analyze bis(4-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-9-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-1-oxa-4-azaspiro[5.5]undecan-5-one);4-[(1R)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-9-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-1-oxa-4-azaspiro[5.5]undecan-5-one;4-[(1R)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-9-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-1-oxa-4,9-diazaspiro[5.5]undecan-5-one;9-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-4-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Pralsetinib
CID 129073603
Ret-IN-4
CID 146635581
4-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-9-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-1-oxa-4-azaspiro[5.5]undecan-5-one
CID 146635568
9-[5-fluoro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-4-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-5-one
CID 164624422
N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1-methoxy-4-[6-methyl-2-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]cyclohexane-1-carboxamide
CID 129073633
1-ethoxy-N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-4-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]cyclohexane-1-carboxamide
CID 129088595
BLU-667 trans form
CID 129088601
N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1-methoxy-4-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]cyclohexane-1-carboxamide
CID 129088589
N-[(1S)-1-[6-(4-fluoro-1H-pyrazol-1-yl)pyridin-3-yl]ethyl]-1-methoxy-4-{4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl}cyclohexane-1-carboxamide
CID 138108780
4-[4-[[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-(5-methyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]-1-methoxycyclohexane-1-carboxamide
CID 141530746
4-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-9-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-1-oxa-4-azaspiro[5.5]undecan-5-one
CID 146635571
4-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-9-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-1-oxa-4,9-diazaspiro[5.5]undecan-5-one
CID 146635583

Frequently Asked Questions

What is the IUPAC name of bis(4-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-9-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-1-oxa-4-azaspiro[5.5]undecan-5-one);4-[(1R)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-9-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-1-oxa-4-azaspiro[5.5]undecan-5-one;4-[(1R)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-9-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-1-oxa-4,9-diazaspiro[5.5]undecan-5-one;9-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-4-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-5-one?
The IUPAC name of bis(4-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-9-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-1-oxa-4-azaspiro[5.5]undecan-5-one);4-[(1R)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-9-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-1-oxa-4-azaspiro[5.5]undecan-5-one;4-[(1R)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-9-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-1-oxa-4,9-diazaspiro[5.5]undecan-5-one;9-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-4-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-5-one (CID 164959624) is bis(4-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-9-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-1-oxa-4-azaspiro[5.5]undecan-5-one);4-[(1R)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-9-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-1-oxa-4-azaspiro[5.5]undecan-5-one;4-[(1R)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-9-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-1-oxa-4,9-diazaspiro[5.5]undecan-5-one;9-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-4-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-5-one.
What is the SMILES notation for bis(4-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-9-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-1-oxa-4-azaspiro[5.5]undecan-5-one);4-[(1R)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-9-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-1-oxa-4-azaspiro[5.5]undecan-5-one;4-[(1R)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-9-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-1-oxa-4,9-diazaspiro[5.5]undecan-5-one;9-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-4-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-5-one?
The canonical SMILES for bis(4-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-9-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-1-oxa-4-azaspiro[5.5]undecan-5-one);4-[(1R)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-9-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-1-oxa-4-azaspiro[5.5]undecan-5-one;4-[(1R)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-9-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-1-oxa-4,9-diazaspiro[5.5]undecan-5-one;9-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-4-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-5-one is Cc1cc(Cc2cc(C)[nH]n2)nc(N2CCC3(CC2)OCCN([C@H](C)c2ccc(-n4cc(F)cn4)nc2)C3=O)n1.Cc1cc(Nc2cc(C)[nH]n2)nc(C2CCC3(CC2)OCCN([C@@H](C)c2ccc(-n4cc(F)cn4)nc2)C3=O)n1.Cc1cc(Nc2cc(C)[nH]n2)nc(C2CCC3(CC2)OCCN([C@@H](C)c2ccc(-n4cc(F)cn4)nc2)C3=O)n1.Cc1cc(Nc2cc(C)[nH]n2)nc(C2CCC3(CC2)OCCN([C@H](C)c2ccc(-n4cc(F)cn4)nc2)C3=O)n1.Cc1cnn(-c2ccc([C@H](C)N3CCOC4(CCN(c5nc(C)cc(Cc6cc(C)[nH]n6)n5)CC4)C3=O)cn2)c1.
What is the InChIKey of bis(4-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-9-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-1-oxa-4-azaspiro[5.5]undecan-5-one);4-[(1R)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-9-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-1-oxa-4-azaspiro[5.5]undecan-5-one;4-[(1R)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-9-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-1-oxa-4,9-diazaspiro[5.5]undecan-5-one;9-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-4-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-5-one?
The InChIKey is BQSXTKNAFNWDEC-STIVZGHXSA-N. The full InChI is InChI=1S/C29H35N9O2.4C28H32FN9O2/c1-19-16-31-38(18-19)26-6-5-23(17-30-26)22(4)37-11-12-40-29(27(37)39)7-9-36(10-8-29)28-32-20(2)13-24(33-28)15-25-14-21(3)34-35-25;1-18-12-23(14-24-13-19(2)34-35-24)33-27(32-18)36-8-6-28(7-9-36)26(39)37(10-11-40-28)20(3)21-4-5-25(30-15-21)38-17-22(29)16-31-38;3*1-17-12-23(33-24-13-18(2)35-36-24)34-26(32-17)20-6-8-28(9-7-20)27(39)37(10-11-40-28)19(3)21-4-5-25(30-14-21)38-16-22(29)15-31-38/h5-6,13-14,16-18,22H,7-12,15H2,1-4H3,(H,34,35);4-5,12-13,15-17,20H,6-11,14H2,1-3H3,(H,34,35);3*4-5,12-16,19-20H,6-11H2,1-3H3,(H2,32,33,34,35,36)/t22-;20-;3*19-,20?,28?/m01100/s1.
What are the key properties of bis(4-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-9-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-1-oxa-4-azaspiro[5.5]undecan-5-one);4-[(1R)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-9-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-1-oxa-4-azaspiro[5.5]undecan-5-one;4-[(1R)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-9-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-1-oxa-4,9-diazaspiro[5.5]undecan-5-one;9-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-4-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-5-one?
bis(4-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-9-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-1-oxa-4-azaspiro[5.5]undecan-5-one);4-[(1R)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-9-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-1-oxa-4-azaspiro[5.5]undecan-5-one;4-[(1R)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-9-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-1-oxa-4,9-diazaspiro[5.5]undecan-5-one;9-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-4-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-5-one has a molecular weight of 2724.15 g/mol, XLogP of 19.23, 30 rotatable bonds, 8 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-9-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-1-oxa-4-azaspiro[5.5]undecan-5-one);4-[(1R)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-9-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-1-oxa-4-azaspiro[5.5]undecan-5-one;4-[(1R)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-9-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-1-oxa-4,9-diazaspiro[5.5]undecan-5-one;9-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-4-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-5-one is sourced from PubChem (CID 164959624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).