(3S)-3-[(1R)-1-[6-[4-(1,1-difluoroethyl)phenyl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-(6-ethyl-3-pyridinyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-(1-ethylpyrrol-3-yl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-(1-methylindol-5-yl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one

C86H95F2N15O8 — CID 158474276

About (3S)-3-[(1R)-1-[6-[4-(1,1-difluoroethyl)phenyl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-(6-ethyl-3-pyridinyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-(1-ethylpyrrol-3-yl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-(1-methylindol-5-yl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one

(3S)-3-[(1R)-1-[6-[4-(1,1-difluoroethyl)phenyl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-(6-ethyl-3-pyridinyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-(1-ethylpyrrol-3-yl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-(1-methylindol-5-yl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one (PubChem CID 158474276) has the molecular formula C86H95F2N15O8 and a molecular weight of 1504.80 g/mol. Its IUPAC name is (3S)-3-[(1R)-1-[6-[4-(1,1-difluoroethyl)phenyl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-(6-ethyl-3-pyridinyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-(1-ethylpyrrol-3-yl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-(1-methylindol-5-yl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one.

Molecular Properties

• Compound Name: (3S)-3-[(1R)-1-[6-[4-(1,1-difluoroethyl)phenyl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-(6-ethyl-3-pyridinyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-(1-ethylpyrrol-3-yl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-(1-methylindol-5-yl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one
• PubChem CID: 158474276
• Molecular Formula: C86H95F2N15O8
• Molecular Weight: 1504.80 g/mol
• Exact Mass: 1503.75
• IUPAC Name: (3S)-3-[(1R)-1-[6-[4-(1,1-difluoroethyl)phenyl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-(6-ethyl-3-pyridinyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-(1-ethylpyrrol-3-yl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-(1-methylindol-5-yl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one
• SMILES: CCc1ccc(-c2cc3nn(C)cc3c(O[C@H](C)[C@H]3CCC(=O)C3)n2)cn1.CCn1ccc(-c2cc3nn(C)cc3c(O[C@H](C)[C@H]3CCC(=O)C3)n2)c1.C[C@@H](Oc1nc(-c2ccc(C(C)(F)F)cc2)cc2nn(C)cc12)[C@H]1CCC(=O)C1.C[C@@H](Oc1nc(-c2ccc3c(ccn3C)c2)cc2nn(C)cc12)[C@H]1CCC(=O)C1
• InChI: InChI=1S/C23H24N4O2.C22H23F2N3O2.C21H24N4O2.C20H24N4O2/c1-14(15-4-6-18(28)11-15)29-23-19-13-27(3)25-21(19)12-20(24-23)16-5-7-22-17(10-16)8-9-26(22)2;1-13(15-6-9-17(28)10-15)29-21-18-12-27(3)26-20(18)11-19(25-21)14-4-7-16(8-5-14)22(2,23)24;1-4-16-7-5-15(11-22-16)19-10-20-18(12-25(3)24-20)21(23-19)27-13(2)14-6-8-17(26)9-14;1-4-24-8-7-15(11-24)18-10-19-17(12-23(3)22-19)20(21-18)26-13(2)14-5-6-16(25)9-14/h5,7-10,12-15H,4,6,11H2,1-3H3;4-5,7-8,11-13,15H,6,9-10H2,1-3H3;5,7,10-14H,4,6,8-9H2,1-3H3;7-8,10-14H,4-6,9H2,1-3H3/t14-,15+;13-,15+;2*13-,14+/m1111/s1
• InChIKey: HGSVSAMSTJXZMH-GEXMHCNQSA-N
• XLogP: 16.47
• TPSA: 250.79 Ų
• H-Bond Acceptors: 23
• Rotatable Bonds: 19
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1504.80
LogP ≤ 5	16.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(1R)-1-[6-[4-(1,1-difluoroethyl)phenyl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-(6-ethyl-3-pyridinyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-(1-ethylpyrrol-3-yl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-(1-methylindol-5-yl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one?

The IUPAC name of (3S)-3-[(1R)-1-[6-[4-(1,1-difluoroethyl)phenyl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-(6-ethyl-3-pyridinyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-(1-ethylpyrrol-3-yl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-(1-methylindol-5-yl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one (CID 158474276) is (3S)-3-[(1R)-1-[6-[4-(1,1-difluoroethyl)phenyl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-(6-ethyl-3-pyridinyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-(1-ethylpyrrol-3-yl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-(1-methylindol-5-yl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one.

What is the SMILES notation for (3S)-3-[(1R)-1-[6-[4-(1,1-difluoroethyl)phenyl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-(6-ethyl-3-pyridinyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-(1-ethylpyrrol-3-yl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-(1-methylindol-5-yl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one?

The canonical SMILES for (3S)-3-[(1R)-1-[6-[4-(1,1-difluoroethyl)phenyl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-(6-ethyl-3-pyridinyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-(1-ethylpyrrol-3-yl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-(1-methylindol-5-yl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one is CCc1ccc(-c2cc3nn(C)cc3c(O[C@H](C)[C@H]3CCC(=O)C3)n2)cn1.CCn1ccc(-c2cc3nn(C)cc3c(O[C@H](C)[C@H]3CCC(=O)C3)n2)c1.C[C@@H](Oc1nc(-c2ccc(C(C)(F)F)cc2)cc2nn(C)cc12)[C@H]1CCC(=O)C1.C[C@@H](Oc1nc(-c2ccc3c(ccn3C)c2)cc2nn(C)cc12)[C@H]1CCC(=O)C1.

What is the InChIKey of (3S)-3-[(1R)-1-[6-[4-(1,1-difluoroethyl)phenyl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-(6-ethyl-3-pyridinyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-(1-ethylpyrrol-3-yl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-(1-methylindol-5-yl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one?

The InChIKey is HGSVSAMSTJXZMH-GEXMHCNQSA-N. The full InChI is InChI=1S/C23H24N4O2.C22H23F2N3O2.C21H24N4O2.C20H24N4O2/c1-14(15-4-6-18(28)11-15)29-23-19-13-27(3)25-21(19)12-20(24-23)16-5-7-22-17(10-16)8-9-26(22)2;1-13(15-6-9-17(28)10-15)29-21-18-12-27(3)26-20(18)11-19(25-21)14-4-7-16(8-5-14)22(2,23)24;1-4-16-7-5-15(11-22-16)19-10-20-18(12-25(3)24-20)21(23-19)27-13(2)14-6-8-17(26)9-14;1-4-24-8-7-15(11-24)18-10-19-17(12-23(3)22-19)20(21-18)26-13(2)14-5-6-16(25)9-14/h5,7-10,12-15H,4,6,11H2,1-3H3;4-5,7-8,11-13,15H,6,9-10H2,1-3H3;5,7,10-14H,4,6,8-9H2,1-3H3;7-8,10-14H,4-6,9H2,1-3H3/t14-,15+;13-,15+;2*13-,14+/m1111/s1.

What are the key properties of (3S)-3-[(1R)-1-[6-[4-(1,1-difluoroethyl)phenyl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-(6-ethyl-3-pyridinyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-(1-ethylpyrrol-3-yl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-(1-methylindol-5-yl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one?

(3S)-3-[(1R)-1-[6-[4-(1,1-difluoroethyl)phenyl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-(6-ethyl-3-pyridinyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-(1-ethylpyrrol-3-yl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-(1-methylindol-5-yl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one has a molecular weight of 1504.80 g/mol, XLogP of 16.47, 19 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-3-[(1R)-1-[6-[4-(1,1-difluoroethyl)phenyl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-(6-ethyl-3-pyridinyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-(1-ethylpyrrol-3-yl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-(1-methylindol-5-yl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one is sourced from PubChem (CID 158474276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).