(3S)-3-[(1R)-1-[6-[1-(4-fluoro-4-methylcyclohexyl)pyrazol-4-yl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-(3-methoxy-4-methylphenyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-(1-piperidin-4-ylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one

C68H83FN14O7 — CID 158709679

IUPAC(3S)-3-[(1R)-1-[6-[1-(4-fluoro-4-methylcyclohexyl)pyrazol-4-yl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-(3-methoxy-4-methylphenyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-(1-piperidin-4-ylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one
SMILESCOc1cc(-c2cc3nn(C)cc3c(O[C@H](C)[C@H]3CCC(=O)C3)n2)ccc1C.C[C@@H](Oc1nc(-c2cnn(C3CCC(C)(F)CC3)c2)cc2nn(C)cc12)[C@H]1CCC(=O)C1.C[C@@H](Oc1nc(-c2cnn(C3CCNCC3)c2)cc2nn(C)cc12)[C@H]1CCC(=O)C1
InChIInChI=1S/C24H30FN5O2.C22H28N6O2.C22H25N3O3/c1-15(16-4-5-19(31)10-16)32-23-20-14-29(3)28-22(20)11-21(27-23)17-12-26-30(13-17)18-6-8-24(2,25)9-7-18;1-14(15-3-4-18(29)9-15)30-22-19-13-27(2)26-21(19)10-20(25-22)16-11-24-28(12-16)17-5-7-23-8-6-17;1-13-5-6-16(10-21(13)27-4)19-11-20-18(12-25(3)24-20)22(23-19)28-14(2)15-7-8-17(26)9-15/h11-16,18H,4-10H2,1-3H3;10-15,17,23H,3-9H2,1-2H3;5-6,10-12,14-15H,7-9H2,1-4H3/t15-,16+,18?,24?;2*14-,15+/m111/s1
InChIKeyIIOGRFRPSJNTQK-MLMNGSMVSA-N
MW1227.50 g/mol
LogP11.79
Rot. Bonds15

About (3S)-3-[(1R)-1-[6-[1-(4-fluoro-4-methylcyclohexyl)pyrazol-4-yl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-(3-methoxy-4-methylphenyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-(1-piperidin-4-ylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one

(3S)-3-[(1R)-1-[6-[1-(4-fluoro-4-methylcyclohexyl)pyrazol-4-yl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-(3-methoxy-4-methylphenyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-(1-piperidin-4-ylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one (PubChem CID 158709679) has the molecular formula C68H83FN14O7 and a molecular weight of 1227.50 g/mol. Its IUPAC name is (3S)-3-[(1R)-1-[6-[1-(4-fluoro-4-methylcyclohexyl)pyrazol-4-yl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-(3-methoxy-4-methylphenyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-(1-piperidin-4-ylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one.

Molecular Properties

Compound Name(3S)-3-[(1R)-1-[6-[1-(4-fluoro-4-methylcyclohexyl)pyrazol-4-yl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-(3-methoxy-4-methylphenyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-(1-piperidin-4-ylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one
PubChem CID158709679
Molecular FormulaC68H83FN14O7
Molecular Weight1227.50 g/mol
Exact Mass1226.66
IUPAC Name(3S)-3-[(1R)-1-[6-[1-(4-fluoro-4-methylcyclohexyl)pyrazol-4-yl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-(3-methoxy-4-methylphenyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-(1-piperidin-4-ylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one
SMILESCOc1cc(-c2cc3nn(C)cc3c(O[C@H](C)[C@H]3CCC(=O)C3)n2)ccc1C.C[C@@H](Oc1nc(-c2cnn(C3CCC(C)(F)CC3)c2)cc2nn(C)cc12)[C@H]1CCC(=O)C1.C[C@@H](Oc1nc(-c2cnn(C3CCNCC3)c2)cc2nn(C)cc12)[C@H]1CCC(=O)C1
InChIInChI=1S/C24H30FN5O2.C22H28N6O2.C22H25N3O3/c1-15(16-4-5-19(31)10-16)32-23-20-14-29(3)28-22(20)11-21(27-23)17-12-26-30(13-17)18-6-8-24(2,25)9-7-18;1-14(15-3-4-18(29)9-15)30-22-19-13-27(2)26-21(19)10-20(25-22)16-11-24-28(12-16)17-5-7-23-8-6-17;1-13-5-6-16(10-21(13)27-4)19-11-20-18(12-25(3)24-20)22(23-19)28-14(2)15-7-8-17(26)9-15/h11-16,18H,4-10H2,1-3H3;10-15,17,23H,3-9H2,1-2H3;5-6,10-12,14-15H,7-9H2,1-4H3/t15-,16+,18?,24?;2*14-,15+/m111/s1
InChIKeyIIOGRFRPSJNTQK-MLMNGSMVSA-N
XLogP11.79
TPSA227.93 Ų
H-Bond Donors1
H-Bond Acceptors21
Rotatable Bonds15
Heavy Atoms90
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001227.50
LogP ≤ 511.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1021

Analyze (3S)-3-[(1R)-1-[6-[1-(4-fluoro-4-methylcyclohexyl)pyrazol-4-yl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-(3-methoxy-4-methylphenyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-(1-piperidin-4-ylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(1R)-1-[6-[1-(4-fluoro-4-methylcyclohexyl)pyrazol-4-yl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-(3-methoxy-4-methylphenyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-(1-piperidin-4-ylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one?
The IUPAC name of (3S)-3-[(1R)-1-[6-[1-(4-fluoro-4-methylcyclohexyl)pyrazol-4-yl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-(3-methoxy-4-methylphenyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-(1-piperidin-4-ylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one (CID 158709679) is (3S)-3-[(1R)-1-[6-[1-(4-fluoro-4-methylcyclohexyl)pyrazol-4-yl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-(3-methoxy-4-methylphenyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-(1-piperidin-4-ylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one.
What is the SMILES notation for (3S)-3-[(1R)-1-[6-[1-(4-fluoro-4-methylcyclohexyl)pyrazol-4-yl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-(3-methoxy-4-methylphenyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-(1-piperidin-4-ylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one?
The canonical SMILES for (3S)-3-[(1R)-1-[6-[1-(4-fluoro-4-methylcyclohexyl)pyrazol-4-yl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-(3-methoxy-4-methylphenyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-(1-piperidin-4-ylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one is COc1cc(-c2cc3nn(C)cc3c(O[C@H](C)[C@H]3CCC(=O)C3)n2)ccc1C.C[C@@H](Oc1nc(-c2cnn(C3CCC(C)(F)CC3)c2)cc2nn(C)cc12)[C@H]1CCC(=O)C1.C[C@@H](Oc1nc(-c2cnn(C3CCNCC3)c2)cc2nn(C)cc12)[C@H]1CCC(=O)C1.
What is the InChIKey of (3S)-3-[(1R)-1-[6-[1-(4-fluoro-4-methylcyclohexyl)pyrazol-4-yl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-(3-methoxy-4-methylphenyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-(1-piperidin-4-ylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one?
The InChIKey is IIOGRFRPSJNTQK-MLMNGSMVSA-N. The full InChI is InChI=1S/C24H30FN5O2.C22H28N6O2.C22H25N3O3/c1-15(16-4-5-19(31)10-16)32-23-20-14-29(3)28-22(20)11-21(27-23)17-12-26-30(13-17)18-6-8-24(2,25)9-7-18;1-14(15-3-4-18(29)9-15)30-22-19-13-27(2)26-21(19)10-20(25-22)16-11-24-28(12-16)17-5-7-23-8-6-17;1-13-5-6-16(10-21(13)27-4)19-11-20-18(12-25(3)24-20)22(23-19)28-14(2)15-7-8-17(26)9-15/h11-16,18H,4-10H2,1-3H3;10-15,17,23H,3-9H2,1-2H3;5-6,10-12,14-15H,7-9H2,1-4H3/t15-,16+,18?,24?;2*14-,15+/m111/s1.
What are the key properties of (3S)-3-[(1R)-1-[6-[1-(4-fluoro-4-methylcyclohexyl)pyrazol-4-yl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-(3-methoxy-4-methylphenyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-(1-piperidin-4-ylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one?
(3S)-3-[(1R)-1-[6-[1-(4-fluoro-4-methylcyclohexyl)pyrazol-4-yl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-(3-methoxy-4-methylphenyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-(1-piperidin-4-ylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one has a molecular weight of 1227.50 g/mol, XLogP of 11.79, 15 rotatable bonds, 1 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(1R)-1-[6-[1-(4-fluoro-4-methylcyclohexyl)pyrazol-4-yl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-(3-methoxy-4-methylphenyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-(1-piperidin-4-ylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one is sourced from PubChem (CID 158709679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).