(3S)-3-[(1R)-1-[6-(6-cyclopropyl-3-pyridinyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-[6-(1-fluoroethyl)-3-pyridinyl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-(6-methoxy-3H-inden-1-yl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-(3,4,5-trimethoxyphenyl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one

C90H99FN14O12 — CID 157450163

About (3S)-3-[(1R)-1-[6-(6-cyclopropyl-3-pyridinyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-[6-(1-fluoroethyl)-3-pyridinyl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-(6-methoxy-3H-inden-1-yl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-(3,4,5-trimethoxyphenyl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one

(3S)-3-[(1R)-1-[6-(6-cyclopropyl-3-pyridinyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-[6-(1-fluoroethyl)-3-pyridinyl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-(6-methoxy-3H-inden-1-yl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-(3,4,5-trimethoxyphenyl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one (PubChem CID 157450163) has the molecular formula C90H99FN14O12 and a molecular weight of 1587.87 g/mol. Its IUPAC name is (3S)-3-[(1R)-1-[6-(6-cyclopropyl-3-pyridinyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-[6-(1-fluoroethyl)-3-pyridinyl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-(6-methoxy-3H-inden-1-yl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-(3,4,5-trimethoxyphenyl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one.

Molecular Properties

• Compound Name: (3S)-3-[(1R)-1-[6-(6-cyclopropyl-3-pyridinyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-[6-(1-fluoroethyl)-3-pyridinyl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-(6-methoxy-3H-inden-1-yl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-(3,4,5-trimethoxyphenyl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one
• PubChem CID: 157450163
• Molecular Formula: C90H99FN14O12
• Molecular Weight: 1587.87 g/mol
• Exact Mass: 1586.76
• IUPAC Name: (3S)-3-[(1R)-1-[6-(6-cyclopropyl-3-pyridinyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-[6-(1-fluoroethyl)-3-pyridinyl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-(6-methoxy-3H-inden-1-yl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-(3,4,5-trimethoxyphenyl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one
• SMILES: CC(F)c1ccc(-c2cc3nn(C)cc3c(O[C@H](C)[C@H]3CCC(=O)C3)n2)cn1.COc1cc(-c2cc3nn(C)cc3c(O[C@H](C)[C@H]3CCC(=O)C3)n2)cc(OC)c1OC.COc1ccc2c(c1)C(c1cc3nn(C)cc3c(O[C@H](C)[C@H]3CCC(=O)C3)n1)=CC2.C[C@@H](Oc1nc(-c2ccc(C3CC3)nc2)cc2nn(C)cc12)[C@H]1CCC(=O)C1
• InChI: InChI=1S/C24H25N3O3.C23H27N3O5.C22H24N4O2.C21H23FN4O2/c1-14(16-4-7-17(28)10-16)30-24-21-13-27(2)26-23(21)12-22(25-24)19-9-6-15-5-8-18(29-3)11-20(15)19;1-13(14-6-7-16(27)8-14)31-23-17-12-26(2)25-19(17)11-18(24-23)15-9-20(28-3)22(30-5)21(10-15)29-4;1-13(15-5-7-17(27)9-15)28-22-18-12-26(2)25-21(18)10-20(24-22)16-6-8-19(23-11-16)14-3-4-14;1-12(22)18-7-5-15(10-23-18)19-9-20-17(11-26(3)25-20)21(24-19)28-13(2)14-4-6-16(27)8-14/h5,8-9,11-14,16H,4,6-7,10H2,1-3H3;9-14H,6-8H2,1-5H3;6,8,10-15H,3-5,7,9H2,1-2H3;5,7,9-14H,4,6,8H2,1-3H3/t14-,16+;13-,14+;13-,15+;12?,13-,14+/m1111/s1
• InChIKey: BSRYXTVVGJYQKL-FANOAJLCSA-N
• XLogP: 16.14
• TPSA: 290.74 Ų
• H-Bond Acceptors: 26
• Rotatable Bonds: 22
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1587.87
LogP ≤ 5	16.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(1R)-1-[6-(6-cyclopropyl-3-pyridinyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-[6-(1-fluoroethyl)-3-pyridinyl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-(6-methoxy-3H-inden-1-yl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-(3,4,5-trimethoxyphenyl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one?

The IUPAC name of (3S)-3-[(1R)-1-[6-(6-cyclopropyl-3-pyridinyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-[6-(1-fluoroethyl)-3-pyridinyl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-(6-methoxy-3H-inden-1-yl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-(3,4,5-trimethoxyphenyl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one (CID 157450163) is (3S)-3-[(1R)-1-[6-(6-cyclopropyl-3-pyridinyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-[6-(1-fluoroethyl)-3-pyridinyl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-(6-methoxy-3H-inden-1-yl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-(3,4,5-trimethoxyphenyl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one.

What is the SMILES notation for (3S)-3-[(1R)-1-[6-(6-cyclopropyl-3-pyridinyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-[6-(1-fluoroethyl)-3-pyridinyl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-(6-methoxy-3H-inden-1-yl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-(3,4,5-trimethoxyphenyl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one?

The canonical SMILES for (3S)-3-[(1R)-1-[6-(6-cyclopropyl-3-pyridinyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-[6-(1-fluoroethyl)-3-pyridinyl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-(6-methoxy-3H-inden-1-yl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-(3,4,5-trimethoxyphenyl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one is CC(F)c1ccc(-c2cc3nn(C)cc3c(O[C@H](C)[C@H]3CCC(=O)C3)n2)cn1.COc1cc(-c2cc3nn(C)cc3c(O[C@H](C)[C@H]3CCC(=O)C3)n2)cc(OC)c1OC.COc1ccc2c(c1)C(c1cc3nn(C)cc3c(O[C@H](C)[C@H]3CCC(=O)C3)n1)=CC2.C[C@@H](Oc1nc(-c2ccc(C3CC3)nc2)cc2nn(C)cc12)[C@H]1CCC(=O)C1.

What is the InChIKey of (3S)-3-[(1R)-1-[6-(6-cyclopropyl-3-pyridinyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-[6-(1-fluoroethyl)-3-pyridinyl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-(6-methoxy-3H-inden-1-yl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-(3,4,5-trimethoxyphenyl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one?

The InChIKey is BSRYXTVVGJYQKL-FANOAJLCSA-N. The full InChI is InChI=1S/C24H25N3O3.C23H27N3O5.C22H24N4O2.C21H23FN4O2/c1-14(16-4-7-17(28)10-16)30-24-21-13-27(2)26-23(21)12-22(25-24)19-9-6-15-5-8-18(29-3)11-20(15)19;1-13(14-6-7-16(27)8-14)31-23-17-12-26(2)25-19(17)11-18(24-23)15-9-20(28-3)22(30-5)21(10-15)29-4;1-13(15-5-7-17(27)9-15)28-22-18-12-26(2)25-21(18)10-20(24-22)16-6-8-19(23-11-16)14-3-4-14;1-12(22)18-7-5-15(10-23-18)19-9-20-17(11-26(3)25-20)21(24-19)28-13(2)14-4-6-16(27)8-14/h5,8-9,11-14,16H,4,6-7,10H2,1-3H3;9-14H,6-8H2,1-5H3;6,8,10-15H,3-5,7,9H2,1-2H3;5,7,9-14H,4,6,8H2,1-3H3/t14-,16+;13-,14+;13-,15+;12?,13-,14+/m1111/s1.

What are the key properties of (3S)-3-[(1R)-1-[6-(6-cyclopropyl-3-pyridinyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-[6-(1-fluoroethyl)-3-pyridinyl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-(6-methoxy-3H-inden-1-yl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-(3,4,5-trimethoxyphenyl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one?

(3S)-3-[(1R)-1-[6-(6-cyclopropyl-3-pyridinyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-[6-(1-fluoroethyl)-3-pyridinyl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-(6-methoxy-3H-inden-1-yl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-(3,4,5-trimethoxyphenyl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one has a molecular weight of 1587.87 g/mol, XLogP of 16.14, 22 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-3-[(1R)-1-[6-(6-cyclopropyl-3-pyridinyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-[6-(1-fluoroethyl)-3-pyridinyl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[6-(6-methoxy-3H-inden-1-yl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-(3,4,5-trimethoxyphenyl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one is sourced from PubChem (CID 157450163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).