[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-quinolin-6-ylmethanone

C21H16N6O — CID 50939226

IUPAC[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-quinolin-6-ylmethanone
SMILESCc1nc2ccc(-n3ncc(C(=O)c4ccc5ncccc5c4)c3N)cc2[nH]1
InChIInChI=1S/C21H16N6O/c1-12-25-18-7-5-15(10-19(18)26-12)27-21(22)16(11-24-27)20(28)14-4-6-17-13(9-14)3-2-8-23-17/h2-11H,22H2,1H3,(H,25,26)
InChIKeyQBYJTIPWBONVFJ-UHFFFAOYSA-N
MW368.40 g/mol
LogP3.42
Rot. Bonds3

About [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-quinolin-6-ylmethanone

[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-quinolin-6-ylmethanone (PubChem CID 50939226) has the molecular formula C21H16N6O and a molecular weight of 368.40 g/mol. Its IUPAC name is [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-quinolin-6-ylmethanone.

Molecular Properties

Compound Name[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-quinolin-6-ylmethanone
PubChem CID50939226
Molecular FormulaC21H16N6O
Molecular Weight368.40 g/mol
Exact Mass368.14
IUPAC Name[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-quinolin-6-ylmethanone
SMILESCc1nc2ccc(-n3ncc(C(=O)c4ccc5ncccc5c4)c3N)cc2[nH]1
InChIInChI=1S/C21H16N6O/c1-12-25-18-7-5-15(10-19(18)26-12)27-21(22)16(11-24-27)20(28)14-4-6-17-13(9-14)3-2-8-23-17/h2-11H,22H2,1H3,(H,25,26)
InChIKeyQBYJTIPWBONVFJ-UHFFFAOYSA-N
XLogP3.42
TPSA102.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(4,5-dipyridin-3-yl-1H-pyrrol-2-yl)methanone
CID 50938963
[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(3,4-dipyridin-3-ylcyclopenta-1,3-dien-1-yl)methanone
CID 158875544
[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(5-pyridin-3-yl-1H-indol-2-yl)methanone
CID 66554718
[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(4-bromo-1H-indol-2-yl)methanone
CID 50939487
CID 88977898
CID 88977898
[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-[6-(3-fluorophenyl)-1H-indol-2-yl]methanone
CID 66556590
[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(5H-cyclopenta[f][1,3]benzodioxol-6-yl)methanone
CID 158491317
[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(4-morpholin-4-yl-1H-inden-2-yl)methanone
CID 158528853
[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(5-butoxy-1H-inden-2-yl)methanone
CID 160624986
[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-[4,5-bis(3-methoxyphenyl)-1H-pyrrol-2-yl]methanone
CID 50939095
[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-[6-(1-pyridin-2-ylpiperidin-3-yl)-1H-indol-2-yl]methanone
CID 118286495
[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-[6-(oxan-4-yloxy)-1H-indol-2-yl]methanone
CID 50938732

Frequently Asked Questions

What is the IUPAC name of [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-quinolin-6-ylmethanone?
The IUPAC name of [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-quinolin-6-ylmethanone (CID 50939226) is [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-quinolin-6-ylmethanone.
What is the SMILES notation for [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-quinolin-6-ylmethanone?
The canonical SMILES for [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-quinolin-6-ylmethanone is Cc1nc2ccc(-n3ncc(C(=O)c4ccc5ncccc5c4)c3N)cc2[nH]1.
What is the InChIKey of [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-quinolin-6-ylmethanone?
The InChIKey is QBYJTIPWBONVFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N6O/c1-12-25-18-7-5-15(10-19(18)26-12)27-21(22)16(11-24-27)20(28)14-4-6-17-13(9-14)3-2-8-23-17/h2-11H,22H2,1H3,(H,25,26).
What are the key properties of [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-quinolin-6-ylmethanone?
[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-quinolin-6-ylmethanone has a molecular weight of 368.40 g/mol, XLogP of 3.42, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-quinolin-6-ylmethanone is sourced from PubChem (CID 50939226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).