6-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide

C24H26ClN7O — CID 158262601

About 6-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide

6-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide (PubChem CID 158262601) has the molecular formula C24H26ClN7O and a molecular weight of 463.97 g/mol. Its IUPAC name is 6-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide.

Molecular Properties

• Compound Name: 6-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide
• PubChem CID: 158262601
• Molecular Formula: C24H26ClN7O
• Molecular Weight: 463.97 g/mol
• Exact Mass: 463.19
• IUPAC Name: 6-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide
• SMILES: CC(C)NC(=O)N1CCc2cc(-c3nc(Cc4ccc5[nH]ncc5c4Cl)n(C)n3)ccc2C1
• InChI: InChI=1S/C24H26ClN7O/c1-14(2)27-24(33)32-9-8-15-10-17(4-5-18(15)13-32)23-28-21(31(3)30-23)11-16-6-7-20-19(22(16)25)12-26-29-20/h4-7,10,12,14H,8-9,11,13H2,1-3H3,(H,26,29)(H,27,33)
• InChIKey: JKALCIDPIDQVTL-UHFFFAOYSA-N
• XLogP: 4.08
• TPSA: 91.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	463.97
LogP ≤ 5	4.08
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide?

The IUPAC name of 6-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide (CID 158262601) is 6-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide.

What is the SMILES notation for 6-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide?

The canonical SMILES for 6-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide is CC(C)NC(=O)N1CCc2cc(-c3nc(Cc4ccc5[nH]ncc5c4Cl)n(C)n3)ccc2C1.

What is the InChIKey of 6-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide?

The InChIKey is JKALCIDPIDQVTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN7O/c1-14(2)27-24(33)32-9-8-15-10-17(4-5-18(15)13-32)23-28-21(31(3)30-23)11-16-6-7-20-19(22(16)25)12-26-29-20/h4-7,10,12,14H,8-9,11,13H2,1-3H3,(H,26,29)(H,27,33).

What are the key properties of 6-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide?

6-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide has a molecular weight of 463.97 g/mol, XLogP of 4.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide is sourced from PubChem (CID 158262601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).