(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethanamine;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;1-methoxy-4-[6-methyl-2-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]cyclohexane-1-carboxylic acid

C54H66F2N18O5 — CID 158520821

IUPAC(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethanamine;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;1-methoxy-4-[6-methyl-2-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]cyclohexane-1-carboxylic acid
SMILESCOC1(C(=O)N[C@@H](C)c2ccc(-n3cc(F)cn3)nc2)CCC(c2cc(C)nc(Nc3cc(C)[nH]n3)n2)CC1.COC1(C(=O)O)CCC(c2cc(C)nc(Nc3cc(C)[nH]n3)n2)CC1.C[C@H](N)c1ccc(-n2cc(F)cn2)nc1
InChIInChI=1S/C27H32FN9O2.C17H23N5O3.C10H11FN4/c1-16-11-22(33-26(31-16)34-23-12-17(2)35-36-23)19-7-9-27(39-4,10-8-19)25(38)32-18(3)20-5-6-24(29-13-20)37-15-21(28)14-30-37;1-10-8-13(12-4-6-17(25-3,7-5-12)15(23)24)19-16(18-10)20-14-9-11(2)21-22-14;1-7(12)8-2-3-10(13-4-8)15-6-9(11)5-14-15/h5-6,11-15,18-19H,7-10H2,1-4H3,(H,32,38)(H2,31,33,34,35,36);8-9,12H,4-7H2,1-3H3,(H,23,24)(H2,18,19,20,21,22);2-7H,12H2,1H3/t18-,19?,27?;;7-/m0.0/s1
InChIKeyHMEMOZWOWICPMO-LEVGUYEXSA-N
MW1085.24 g/mol
LogP8.31
Rot. Bonds15

About (1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethanamine;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;1-methoxy-4-[6-methyl-2-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]cyclohexane-1-carboxylic acid

(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethanamine;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;1-methoxy-4-[6-methyl-2-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]cyclohexane-1-carboxylic acid (PubChem CID 158520821) has the molecular formula C54H66F2N18O5 and a molecular weight of 1085.24 g/mol. Its IUPAC name is (1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethanamine;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;1-methoxy-4-[6-methyl-2-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethanamine;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;1-methoxy-4-[6-methyl-2-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]cyclohexane-1-carboxylic acid
PubChem CID158520821
Molecular FormulaC54H66F2N18O5
Molecular Weight1085.24 g/mol
Exact Mass1084.54
IUPAC Name(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethanamine;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;1-methoxy-4-[6-methyl-2-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]cyclohexane-1-carboxylic acid
SMILESCOC1(C(=O)N[C@@H](C)c2ccc(-n3cc(F)cn3)nc2)CCC(c2cc(C)nc(Nc3cc(C)[nH]n3)n2)CC1.COC1(C(=O)O)CCC(c2cc(C)nc(Nc3cc(C)[nH]n3)n2)CC1.C[C@H](N)c1ccc(-n2cc(F)cn2)nc1
InChIInChI=1S/C27H32FN9O2.C17H23N5O3.C10H11FN4/c1-16-11-22(33-26(31-16)34-23-12-17(2)35-36-23)19-7-9-27(39-4,10-8-19)25(38)32-18(3)20-5-6-24(29-13-20)37-15-21(28)14-30-37;1-10-8-13(12-4-6-17(25-3,7-5-12)15(23)24)19-16(18-10)20-14-9-11(2)21-22-14;1-7(12)8-2-3-10(13-4-8)15-6-9(11)5-14-15/h5-6,11-15,18-19H,7-10H2,1-4H3,(H,32,38)(H2,31,33,34,35,36);8-9,12H,4-7H2,1-3H3,(H,23,24)(H2,18,19,20,21,22);2-7H,12H2,1H3/t18-,19?,27?;;7-/m0.0/s1
InChIKeyHMEMOZWOWICPMO-LEVGUYEXSA-N
XLogP8.31
TPSA305.28 Ų
H-Bond Donors7
H-Bond Acceptors19
Rotatable Bonds15
Heavy Atoms79
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001085.24
LogP ≤ 58.31
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1019

Analyze (1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethanamine;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;1-methoxy-4-[6-methyl-2-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]cyclohexane-1-carboxylic acid 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
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
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
4-fluoro-N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1-methoxy-4-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]cyclohexane-1-carboxamide
CID 129088597
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-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-4-hydroxy-1-methoxy-4-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]cyclohexane-1-carboxamide
CID 129088592
N-[(1S)-1-[6-[[(E)-2-fluoroprop-1-enyl]-(methylideneamino)amino]-3-pyridinyl]ethyl]-1-methoxy-4-[6-methyl-2-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]cyclohexane-1-carboxamide
CID 129101792
4-[4-[[3-[[2-[1-fluoro-4-[[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]carbamoyl]cyclohexyl]-1,4-dimethyl-2H-pyridin-6-yl]amino]-5-methylpyrazol-1-yl]methyl]-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]-N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]cyclohex-3-ene-1-carboxamide
CID 129125736
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
2-[(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 140783915

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethanamine;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;1-methoxy-4-[6-methyl-2-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]cyclohexane-1-carboxylic acid?
The IUPAC name of (1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethanamine;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;1-methoxy-4-[6-methyl-2-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]cyclohexane-1-carboxylic acid (CID 158520821) is (1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethanamine;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;1-methoxy-4-[6-methyl-2-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for (1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethanamine;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;1-methoxy-4-[6-methyl-2-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]cyclohexane-1-carboxylic acid?
The canonical SMILES for (1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethanamine;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;1-methoxy-4-[6-methyl-2-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]cyclohexane-1-carboxylic acid is COC1(C(=O)N[C@@H](C)c2ccc(-n3cc(F)cn3)nc2)CCC(c2cc(C)nc(Nc3cc(C)[nH]n3)n2)CC1.COC1(C(=O)O)CCC(c2cc(C)nc(Nc3cc(C)[nH]n3)n2)CC1.C[C@H](N)c1ccc(-n2cc(F)cn2)nc1.
What is the InChIKey of (1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethanamine;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;1-methoxy-4-[6-methyl-2-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]cyclohexane-1-carboxylic acid?
The InChIKey is HMEMOZWOWICPMO-LEVGUYEXSA-N. The full InChI is InChI=1S/C27H32FN9O2.C17H23N5O3.C10H11FN4/c1-16-11-22(33-26(31-16)34-23-12-17(2)35-36-23)19-7-9-27(39-4,10-8-19)25(38)32-18(3)20-5-6-24(29-13-20)37-15-21(28)14-30-37;1-10-8-13(12-4-6-17(25-3,7-5-12)15(23)24)19-16(18-10)20-14-9-11(2)21-22-14;1-7(12)8-2-3-10(13-4-8)15-6-9(11)5-14-15/h5-6,11-15,18-19H,7-10H2,1-4H3,(H,32,38)(H2,31,33,34,35,36);8-9,12H,4-7H2,1-3H3,(H,23,24)(H2,18,19,20,21,22);2-7H,12H2,1H3/t18-,19?,27?;;7-/m0.0/s1.
What are the key properties of (1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethanamine;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;1-methoxy-4-[6-methyl-2-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]cyclohexane-1-carboxylic acid?
(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethanamine;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;1-methoxy-4-[6-methyl-2-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]cyclohexane-1-carboxylic acid has a molecular weight of 1085.24 g/mol, XLogP of 8.31, 15 rotatable bonds, 7 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethanamine;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;1-methoxy-4-[6-methyl-2-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 158520821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).