1-[1-[3-[4-(5-chloro-1H-indol-3-yl)piperidin-1-yl]-2-hydroxypropyl]-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

C31H33ClF3N5O2 — CID 10210806

About 1-[1-[3-[4-(5-chloro-1H-indol-3-yl)piperidin-1-yl]-2-hydroxypropyl]-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

1-[1-[3-[4-(5-chloro-1H-indol-3-yl)piperidin-1-yl]-2-hydroxypropyl]-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (PubChem CID 10210806) has the molecular formula C31H33ClF3N5O2 and a molecular weight of 600.09 g/mol. Its IUPAC name is 1-[1-[3-[4-(5-chloro-1H-indol-3-yl)piperidin-1-yl]-2-hydroxypropyl]-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

Molecular Properties

• Compound Name: 1-[1-[3-[4-(5-chloro-1H-indol-3-yl)piperidin-1-yl]-2-hydroxypropyl]-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
• PubChem CID: 10210806
• Molecular Formula: C31H33ClF3N5O2
• Molecular Weight: 600.09 g/mol
• Exact Mass: 599.23
• IUPAC Name: 1-[1-[3-[4-(5-chloro-1H-indol-3-yl)piperidin-1-yl]-2-hydroxypropyl]-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
• SMILES: CC(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)cc3)nn2CC(O)CN2CCC(c3c[nH]c4ccc(Cl)cc34)CC2)C1
• InChI: InChI=1S/C31H33ClF3N5O2/c1-19(41)39-13-10-29-27(18-39)30(21-2-4-22(5-3-21)31(33,34)35)37-40(29)17-24(42)16-38-11-8-20(9-12-38)26-15-36-28-7-6-23(32)14-25(26)28/h2-7,14-15,20,24,36,42H,8-13,16-18H2,1H3
• InChIKey: HZRPYRWADRQXAF-UHFFFAOYSA-N
• XLogP: 5.85
• TPSA: 77.39 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	600.09
LogP ≤ 5	5.85
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-[4-(5-chloro-1H-indol-3-yl)piperidin-1-yl]-2-hydroxypropyl]-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?

The IUPAC name of 1-[1-[3-[4-(5-chloro-1H-indol-3-yl)piperidin-1-yl]-2-hydroxypropyl]-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (CID 10210806) is 1-[1-[3-[4-(5-chloro-1H-indol-3-yl)piperidin-1-yl]-2-hydroxypropyl]-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

What is the SMILES notation for 1-[1-[3-[4-(5-chloro-1H-indol-3-yl)piperidin-1-yl]-2-hydroxypropyl]-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?

The canonical SMILES for 1-[1-[3-[4-(5-chloro-1H-indol-3-yl)piperidin-1-yl]-2-hydroxypropyl]-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is CC(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)cc3)nn2CC(O)CN2CCC(c3c[nH]c4ccc(Cl)cc34)CC2)C1.

What is the InChIKey of 1-[1-[3-[4-(5-chloro-1H-indol-3-yl)piperidin-1-yl]-2-hydroxypropyl]-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?

The InChIKey is HZRPYRWADRQXAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33ClF3N5O2/c1-19(41)39-13-10-29-27(18-39)30(21-2-4-22(5-3-21)31(33,34)35)37-40(29)17-24(42)16-38-11-8-20(9-12-38)26-15-36-28-7-6-23(32)14-25(26)28/h2-7,14-15,20,24,36,42H,8-13,16-18H2,1H3.

What are the key properties of 1-[1-[3-[4-(5-chloro-1H-indol-3-yl)piperidin-1-yl]-2-hydroxypropyl]-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?

1-[1-[3-[4-(5-chloro-1H-indol-3-yl)piperidin-1-yl]-2-hydroxypropyl]-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone has a molecular weight of 600.09 g/mol, XLogP of 5.85, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[3-[4-(5-chloro-1H-indol-3-yl)piperidin-1-yl]-2-hydroxypropyl]-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 10210806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).