2-amino-N-[(3R)-1-[4-(2,3-dihydro-1H-indol-5-yl)benzoyl]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide

C29H29N7O2 — CID 142325398

About 2-amino-N-[(3R)-1-[4-(2,3-dihydro-1H-indol-5-yl)benzoyl]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide

2-amino-N-[(3R)-1-[4-(2,3-dihydro-1H-indol-5-yl)benzoyl]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide (PubChem CID 142325398) has the molecular formula C29H29N7O2 and a molecular weight of 507.60 g/mol. Its IUPAC name is 2-amino-N-[(3R)-1-[4-(2,3-dihydro-1H-indol-5-yl)benzoyl]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2-amino-N-[(3R)-1-[4-(2,3-dihydro-1H-indol-5-yl)benzoyl]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
• PubChem CID: 142325398
• Molecular Formula: C29H29N7O2
• Molecular Weight: 507.60 g/mol
• Exact Mass: 507.24
• IUPAC Name: 2-amino-N-[(3R)-1-[4-(2,3-dihydro-1H-indol-5-yl)benzoyl]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
• SMILES: Cn1cc(-c2cnc(N)c(C(=O)N[C@@H]3CCN(C(=O)c4ccc(-c5ccc6c(c5)CCN6)cc4)C3)c2)cn1
• InChI: InChI=1S/C29H29N7O2/c1-35-16-23(15-33-35)22-13-25(27(30)32-14-22)28(37)34-24-9-11-36(17-24)29(38)19-4-2-18(3-5-19)20-6-7-26-21(12-20)8-10-31-26/h2-7,12-16,24,31H,8-11,17H2,1H3,(H2,30,32)(H,34,37)/t24-/m1/s1
• InChIKey: FZSVJCHTVNZEAI-XMMPIXPASA-N
• XLogP: 3.34
• TPSA: 118.17 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	507.60
LogP ≤ 5	3.34
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3R)-1-[4-(2,3-dihydro-1H-indol-5-yl)benzoyl]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide?

The IUPAC name of 2-amino-N-[(3R)-1-[4-(2,3-dihydro-1H-indol-5-yl)benzoyl]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide (CID 142325398) is 2-amino-N-[(3R)-1-[4-(2,3-dihydro-1H-indol-5-yl)benzoyl]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide.

What is the SMILES notation for 2-amino-N-[(3R)-1-[4-(2,3-dihydro-1H-indol-5-yl)benzoyl]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide?

The canonical SMILES for 2-amino-N-[(3R)-1-[4-(2,3-dihydro-1H-indol-5-yl)benzoyl]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide is Cn1cc(-c2cnc(N)c(C(=O)N[C@@H]3CCN(C(=O)c4ccc(-c5ccc6c(c5)CCN6)cc4)C3)c2)cn1.

What is the InChIKey of 2-amino-N-[(3R)-1-[4-(2,3-dihydro-1H-indol-5-yl)benzoyl]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide?

The InChIKey is FZSVJCHTVNZEAI-XMMPIXPASA-N. The full InChI is InChI=1S/C29H29N7O2/c1-35-16-23(15-33-35)22-13-25(27(30)32-14-22)28(37)34-24-9-11-36(17-24)29(38)19-4-2-18(3-5-19)20-6-7-26-21(12-20)8-10-31-26/h2-7,12-16,24,31H,8-11,17H2,1H3,(H2,30,32)(H,34,37)/t24-/m1/s1.

What are the key properties of 2-amino-N-[(3R)-1-[4-(2,3-dihydro-1H-indol-5-yl)benzoyl]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide?

2-amino-N-[(3R)-1-[4-(2,3-dihydro-1H-indol-5-yl)benzoyl]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide has a molecular weight of 507.60 g/mol, XLogP of 3.34, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-[(3R)-1-[4-(2,3-dihydro-1H-indol-5-yl)benzoyl]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide is sourced from PubChem (CID 142325398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).