2-pyridin-3-ylethanol;2-pyridin-3-ylethyl 4-methylbenzenesulfonate;1-(2-pyridin-3-ylethyl)-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3,3,3-trifluoropropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide

C60H63F6N17O6S — CID 165105098

About 2-pyridin-3-ylethanol;2-pyridin-3-ylethyl 4-methylbenzenesulfonate;1-(2-pyridin-3-ylethyl)-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3,3,3-trifluoropropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide

2-pyridin-3-ylethanol;2-pyridin-3-ylethyl 4-methylbenzenesulfonate;1-(2-pyridin-3-ylethyl)-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3,3,3-trifluoropropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 165105098) has the molecular formula C60H63F6N17O6S and a molecular weight of 1264.33 g/mol. Its IUPAC name is 2-pyridin-3-ylethanol;2-pyridin-3-ylethyl 4-methylbenzenesulfonate;1-(2-pyridin-3-ylethyl)-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3,3,3-trifluoropropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2-pyridin-3-ylethanol;2-pyridin-3-ylethyl 4-methylbenzenesulfonate;1-(2-pyridin-3-ylethyl)-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3,3,3-trifluoropropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
• PubChem CID: 165105098
• Molecular Formula: C60H63F6N17O6S
• Molecular Weight: 1264.33 g/mol
• Exact Mass: 1263.48
• IUPAC Name: 2-pyridin-3-ylethanol;2-pyridin-3-ylethyl 4-methylbenzenesulfonate;1-(2-pyridin-3-ylethyl)-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3,3,3-trifluoropropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
• SMILES: Cc1ccc(S(=O)(=O)OCCc2cccnc2)cc1.O=C(NCCC(F)(F)F)c1n[nH]c2c1CN(c1ncnc3[nH]ccc13)CC2.O=C(NCCC(F)(F)F)c1nn(CCc2cccnc2)c2c1CN(c1ncnc3[nH]ccc13)CC2.OCCc1cccnc1
• InChI: InChI=1S/C23H23F3N8O.C16H16F3N7O.C14H15NO3S.C7H9NO/c24-23(25,26)6-9-29-22(35)19-17-13-33(21-16-3-8-28-20(16)30-14-31-21)10-5-18(17)34(32-19)11-4-15-2-1-7-27-12-15;17-16(18,19)3-5-21-15(27)12-10-7-26(6-2-11(10)24-25-12)14-9-1-4-20-13(9)22-8-23-14;1-12-4-6-14(7-5-12)19(16,17)18-10-8-13-3-2-9-15-11-13;9-5-3-7-2-1-4-8-6-7/h1-3,7-8,12,14H,4-6,9-11,13H2,(H,29,35)(H,28,30,31);1,4,8H,2-3,5-7H2,(H,21,27)(H,24,25)(H,20,22,23);2-7,9,11H,8,10H2,1H3;1-2,4,6,9H,3,5H2
• InChIKey: YZJNKAPOFNLIKF-UHFFFAOYSA-N
• XLogP: 7.92
• TPSA: 296.59 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 18
• Rotatable Bonds: 18
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1264.33
LogP ≤ 5	7.92
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-ylethanol;2-pyridin-3-ylethyl 4-methylbenzenesulfonate;1-(2-pyridin-3-ylethyl)-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3,3,3-trifluoropropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?

The IUPAC name of 2-pyridin-3-ylethanol;2-pyridin-3-ylethyl 4-methylbenzenesulfonate;1-(2-pyridin-3-ylethyl)-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3,3,3-trifluoropropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide (CID 165105098) is 2-pyridin-3-ylethanol;2-pyridin-3-ylethyl 4-methylbenzenesulfonate;1-(2-pyridin-3-ylethyl)-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3,3,3-trifluoropropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide.

What is the SMILES notation for 2-pyridin-3-ylethanol;2-pyridin-3-ylethyl 4-methylbenzenesulfonate;1-(2-pyridin-3-ylethyl)-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3,3,3-trifluoropropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?

The canonical SMILES for 2-pyridin-3-ylethanol;2-pyridin-3-ylethyl 4-methylbenzenesulfonate;1-(2-pyridin-3-ylethyl)-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3,3,3-trifluoropropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide is Cc1ccc(S(=O)(=O)OCCc2cccnc2)cc1.O=C(NCCC(F)(F)F)c1n[nH]c2c1CN(c1ncnc3[nH]ccc13)CC2.O=C(NCCC(F)(F)F)c1nn(CCc2cccnc2)c2c1CN(c1ncnc3[nH]ccc13)CC2.OCCc1cccnc1.

What is the InChIKey of 2-pyridin-3-ylethanol;2-pyridin-3-ylethyl 4-methylbenzenesulfonate;1-(2-pyridin-3-ylethyl)-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3,3,3-trifluoropropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?

The InChIKey is YZJNKAPOFNLIKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N8O.C16H16F3N7O.C14H15NO3S.C7H9NO/c24-23(25,26)6-9-29-22(35)19-17-13-33(21-16-3-8-28-20(16)30-14-31-21)10-5-18(17)34(32-19)11-4-15-2-1-7-27-12-15;17-16(18,19)3-5-21-15(27)12-10-7-26(6-2-11(10)24-25-12)14-9-1-4-20-13(9)22-8-23-14;1-12-4-6-14(7-5-12)19(16,17)18-10-8-13-3-2-9-15-11-13;9-5-3-7-2-1-4-8-6-7/h1-3,7-8,12,14H,4-6,9-11,13H2,(H,29,35)(H,28,30,31);1,4,8H,2-3,5-7H2,(H,21,27)(H,24,25)(H,20,22,23);2-7,9,11H,8,10H2,1H3;1-2,4,6,9H,3,5H2.

What are the key properties of 2-pyridin-3-ylethanol;2-pyridin-3-ylethyl 4-methylbenzenesulfonate;1-(2-pyridin-3-ylethyl)-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3,3,3-trifluoropropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?

2-pyridin-3-ylethanol;2-pyridin-3-ylethyl 4-methylbenzenesulfonate;1-(2-pyridin-3-ylethyl)-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3,3,3-trifluoropropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 1264.33 g/mol, XLogP of 7.92, 18 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-pyridin-3-ylethanol;2-pyridin-3-ylethyl 4-methylbenzenesulfonate;1-(2-pyridin-3-ylethyl)-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3,3,3-trifluoropropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 165105098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).