5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methylpyridine-3-carboxamide

C21H16N6O — CID 135532406

IUPAC5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methylpyridine-3-carboxamide
SMILESCc1c(C(N)=O)cncc1-c1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1
InChIInChI=1S/C21H16N6O/c1-11-14(9-23-10-15(11)20(22)28)12-6-7-16-13(8-12)19(27-26-16)21-24-17-4-2-3-5-18(17)25-21/h2-10H,1H3,(H2,22,28)(H,24,25)(H,26,27)
InChIKeyNFALFQYJXAGULR-UHFFFAOYSA-N
MW368.40 g/mol
LogP3.58
Rot. Bonds3

About 5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methylpyridine-3-carboxamide

5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methylpyridine-3-carboxamide (PubChem CID 135532406) has the molecular formula C21H16N6O and a molecular weight of 368.40 g/mol. Its IUPAC name is 5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methylpyridine-3-carboxamide
PubChem CID135532406
Molecular FormulaC21H16N6O
Molecular Weight368.40 g/mol
Exact Mass368.14
IUPAC Name5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methylpyridine-3-carboxamide
SMILESCc1c(C(N)=O)cncc1-c1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1
InChIInChI=1S/C21H16N6O/c1-11-14(9-23-10-15(11)20(22)28)12-6-7-16-13(8-12)19(27-26-16)21-24-17-4-2-3-5-18(17)25-21/h2-10H,1H3,(H2,22,28)(H,24,25)(H,26,27)
InChIKeyNFALFQYJXAGULR-UHFFFAOYSA-N
XLogP3.58
TPSA113.34 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 53.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methylpyridine-3-carboxamide?
The IUPAC name of 5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methylpyridine-3-carboxamide (CID 135532406) is 5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methylpyridine-3-carboxamide.
What is the SMILES notation for 5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methylpyridine-3-carboxamide?
The canonical SMILES for 5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methylpyridine-3-carboxamide is Cc1c(C(N)=O)cncc1-c1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1.
What is the InChIKey of 5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methylpyridine-3-carboxamide?
The InChIKey is NFALFQYJXAGULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N6O/c1-11-14(9-23-10-15(11)20(22)28)12-6-7-16-13(8-12)19(27-26-16)21-24-17-4-2-3-5-18(17)25-21/h2-10H,1H3,(H2,22,28)(H,24,25)(H,26,27).
What are the key properties of 5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methylpyridine-3-carboxamide?
5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methylpyridine-3-carboxamide has a molecular weight of 368.40 g/mol, XLogP of 3.58, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methylpyridine-3-carboxamide is sourced from PubChem (CID 135532406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).