5-(5-chloro-3-methyl-1H-indole-2-carbonyl)-N,N-dimethyl-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

C22H23ClF3N5O2 — CID 26231382

About 5-(5-chloro-3-methyl-1H-indole-2-carbonyl)-N,N-dimethyl-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

5-(5-chloro-3-methyl-1H-indole-2-carbonyl)-N,N-dimethyl-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 26231382) has the molecular formula C22H23ClF3N5O2 and a molecular weight of 481.91 g/mol. Its IUPAC name is 5-(5-chloro-3-methyl-1H-indole-2-carbonyl)-N,N-dimethyl-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-(5-chloro-3-methyl-1H-indole-2-carbonyl)-N,N-dimethyl-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
• PubChem CID: 26231382
• Molecular Formula: C22H23ClF3N5O2
• Molecular Weight: 481.91 g/mol
• Exact Mass: 481.15
• IUPAC Name: 5-(5-chloro-3-methyl-1H-indole-2-carbonyl)-N,N-dimethyl-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
• SMILES: Cc1c(C(=O)N2CCc3c(c(C(=O)N(C)C)nn3CCC(F)(F)F)C2)[nH]c2ccc(Cl)cc12
• InChI: InChI=1S/C22H23ClF3N5O2/c1-12-14-10-13(23)4-5-16(14)27-18(12)21(33)30-8-6-17-15(11-30)19(20(32)29(2)3)28-31(17)9-7-22(24,25)26/h4-5,10,27H,6-9,11H2,1-3H3
• InChIKey: SCGIVSOLPPHOLK-UHFFFAOYSA-N
• XLogP: 4.18
• TPSA: 74.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	481.91
LogP ≤ 5	4.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-3-methyl-1H-indole-2-carbonyl)-N,N-dimethyl-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?

The IUPAC name of 5-(5-chloro-3-methyl-1H-indole-2-carbonyl)-N,N-dimethyl-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 26231382) is 5-(5-chloro-3-methyl-1H-indole-2-carbonyl)-N,N-dimethyl-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

What is the SMILES notation for 5-(5-chloro-3-methyl-1H-indole-2-carbonyl)-N,N-dimethyl-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?

The canonical SMILES for 5-(5-chloro-3-methyl-1H-indole-2-carbonyl)-N,N-dimethyl-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is Cc1c(C(=O)N2CCc3c(c(C(=O)N(C)C)nn3CCC(F)(F)F)C2)[nH]c2ccc(Cl)cc12.

What is the InChIKey of 5-(5-chloro-3-methyl-1H-indole-2-carbonyl)-N,N-dimethyl-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?

The InChIKey is SCGIVSOLPPHOLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClF3N5O2/c1-12-14-10-13(23)4-5-16(14)27-18(12)21(33)30-8-6-17-15(11-30)19(20(32)29(2)3)28-31(17)9-7-22(24,25)26/h4-5,10,27H,6-9,11H2,1-3H3.

What are the key properties of 5-(5-chloro-3-methyl-1H-indole-2-carbonyl)-N,N-dimethyl-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?

5-(5-chloro-3-methyl-1H-indole-2-carbonyl)-N,N-dimethyl-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 481.91 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(5-chloro-3-methyl-1H-indole-2-carbonyl)-N,N-dimethyl-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 26231382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).