1-[3-(1H-benzimidazol-2-yl)-1H-indazole-6-carbonyl]piperidine-4-carboxamide

C21H20N6O2 — CID 137303147

IUPAC1-[3-(1H-benzimidazol-2-yl)-1H-indazole-6-carbonyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)c2ccc3c(-c4nc5ccccc5[nH]4)n[nH]c3c2)CC1
InChIInChI=1S/C21H20N6O2/c22-19(28)12-7-9-27(10-8-12)21(29)13-5-6-14-17(11-13)25-26-18(14)20-23-15-3-1-2-4-16(15)24-20/h1-6,11-12H,7-10H2,(H2,22,28)(H,23,24)(H,25,26)
InChIKeyQKPRBWWGWUPECQ-UHFFFAOYSA-N
MW388.43 g/mol
LogP2.44
Rot. Bonds3

About 1-[3-(1H-benzimidazol-2-yl)-1H-indazole-6-carbonyl]piperidine-4-carboxamide

1-[3-(1H-benzimidazol-2-yl)-1H-indazole-6-carbonyl]piperidine-4-carboxamide (PubChem CID 137303147) has the molecular formula C21H20N6O2 and a molecular weight of 388.43 g/mol. Its IUPAC name is 1-[3-(1H-benzimidazol-2-yl)-1H-indazole-6-carbonyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-(1H-benzimidazol-2-yl)-1H-indazole-6-carbonyl]piperidine-4-carboxamide
PubChem CID137303147
Molecular FormulaC21H20N6O2
Molecular Weight388.43 g/mol
Exact Mass388.16
IUPAC Name1-[3-(1H-benzimidazol-2-yl)-1H-indazole-6-carbonyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)c2ccc3c(-c4nc5ccccc5[nH]4)n[nH]c3c2)CC1
InChIInChI=1S/C21H20N6O2/c22-19(28)12-7-9-27(10-8-12)21(29)13-5-6-14-17(11-13)25-26-18(14)20-23-15-3-1-2-4-16(15)24-20/h1-6,11-12H,7-10H2,(H2,22,28)(H,23,24)(H,25,26)
InChIKeyQKPRBWWGWUPECQ-UHFFFAOYSA-N
XLogP2.44
TPSA120.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(1H-benzimidazol-2-yl)-1H-indazole-6-carbonyl]piperidine-4-carboxamide?
The IUPAC name of 1-[3-(1H-benzimidazol-2-yl)-1H-indazole-6-carbonyl]piperidine-4-carboxamide (CID 137303147) is 1-[3-(1H-benzimidazol-2-yl)-1H-indazole-6-carbonyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-(1H-benzimidazol-2-yl)-1H-indazole-6-carbonyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[3-(1H-benzimidazol-2-yl)-1H-indazole-6-carbonyl]piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)c2ccc3c(-c4nc5ccccc5[nH]4)n[nH]c3c2)CC1.
What is the InChIKey of 1-[3-(1H-benzimidazol-2-yl)-1H-indazole-6-carbonyl]piperidine-4-carboxamide?
The InChIKey is QKPRBWWGWUPECQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O2/c22-19(28)12-7-9-27(10-8-12)21(29)13-5-6-14-17(11-13)25-26-18(14)20-23-15-3-1-2-4-16(15)24-20/h1-6,11-12H,7-10H2,(H2,22,28)(H,23,24)(H,25,26).
What are the key properties of 1-[3-(1H-benzimidazol-2-yl)-1H-indazole-6-carbonyl]piperidine-4-carboxamide?
1-[3-(1H-benzimidazol-2-yl)-1H-indazole-6-carbonyl]piperidine-4-carboxamide has a molecular weight of 388.43 g/mol, XLogP of 2.44, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1H-benzimidazol-2-yl)-1H-indazole-6-carbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 137303147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).