4-amino-5-(1H-benzimidazol-2-yl)-1-methyl-7H-pyrazolo[5,4-b]pyridin-6-one

C14H12N6O — CID 135496141

IUPAC4-amino-5-(1H-benzimidazol-2-yl)-1-methyl-7H-pyrazolo[5,4-b]pyridin-6-one
SMILESCn1ncc2c(N)c(-c3nc4ccccc4[nH]3)c(=O)[nH]c21
InChIInChI=1S/C14H12N6O/c1-20-13-7(6-16-20)11(15)10(14(21)19-13)12-17-8-4-2-3-5-9(8)18-12/h2-6H,1H3,(H,17,18)(H3,15,19,21)
InChIKeyQMMKNQNBDPGVTP-UHFFFAOYSA-N
MW280.29 g/mol
LogP1.39
Rot. Bonds1

About 4-amino-5-(1H-benzimidazol-2-yl)-1-methyl-7H-pyrazolo[5,4-b]pyridin-6-one

4-amino-5-(1H-benzimidazol-2-yl)-1-methyl-7H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 135496141) has the molecular formula C14H12N6O and a molecular weight of 280.29 g/mol. Its IUPAC name is 4-amino-5-(1H-benzimidazol-2-yl)-1-methyl-7H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name4-amino-5-(1H-benzimidazol-2-yl)-1-methyl-7H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID135496141
Molecular FormulaC14H12N6O
Molecular Weight280.29 g/mol
Exact Mass280.11
IUPAC Name4-amino-5-(1H-benzimidazol-2-yl)-1-methyl-7H-pyrazolo[5,4-b]pyridin-6-one
SMILESCn1ncc2c(N)c(-c3nc4ccccc4[nH]3)c(=O)[nH]c21
InChIInChI=1S/C14H12N6O/c1-20-13-7(6-16-20)11(15)10(14(21)19-13)12-17-8-4-2-3-5-9(8)18-12/h2-6H,1H3,(H,17,18)(H3,15,19,21)
InChIKeyQMMKNQNBDPGVTP-UHFFFAOYSA-N
XLogP1.39
TPSA105.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(1H-benzimidazol-2-yl)-1-methyl-7H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 4-amino-5-(1H-benzimidazol-2-yl)-1-methyl-7H-pyrazolo[5,4-b]pyridin-6-one (CID 135496141) is 4-amino-5-(1H-benzimidazol-2-yl)-1-methyl-7H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 4-amino-5-(1H-benzimidazol-2-yl)-1-methyl-7H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 4-amino-5-(1H-benzimidazol-2-yl)-1-methyl-7H-pyrazolo[5,4-b]pyridin-6-one is Cn1ncc2c(N)c(-c3nc4ccccc4[nH]3)c(=O)[nH]c21.
What is the InChIKey of 4-amino-5-(1H-benzimidazol-2-yl)-1-methyl-7H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is QMMKNQNBDPGVTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N6O/c1-20-13-7(6-16-20)11(15)10(14(21)19-13)12-17-8-4-2-3-5-9(8)18-12/h2-6H,1H3,(H,17,18)(H3,15,19,21).
What are the key properties of 4-amino-5-(1H-benzimidazol-2-yl)-1-methyl-7H-pyrazolo[5,4-b]pyridin-6-one?
4-amino-5-(1H-benzimidazol-2-yl)-1-methyl-7H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 280.29 g/mol, XLogP of 1.39, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(1H-benzimidazol-2-yl)-1-methyl-7H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 135496141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).