1-(1H-benzimidazol-2-yl)-4-(4-hydroxyphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

C20H17N5O2 — CID 135656012

IUPAC1-(1H-benzimidazol-2-yl)-4-(4-hydroxyphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1nn(-c2nc3ccccc3[nH]2)c2c1C(c1ccc(O)cc1)CC(=O)N2
InChIInChI=1S/C20H17N5O2/c1-11-18-14(12-6-8-13(26)9-7-12)10-17(27)23-19(18)25(24-11)20-21-15-4-2-3-5-16(15)22-20/h2-9,14,26H,10H2,1H3,(H,21,22)(H,23,27)
InChIKeyXYUAMEZVOKWBMU-UHFFFAOYSA-N
MW359.39 g/mol
LogP3.24
Rot. Bonds2

About 1-(1H-benzimidazol-2-yl)-4-(4-hydroxyphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

1-(1H-benzimidazol-2-yl)-4-(4-hydroxyphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 135656012) has the molecular formula C20H17N5O2 and a molecular weight of 359.39 g/mol. Its IUPAC name is 1-(1H-benzimidazol-2-yl)-4-(4-hydroxyphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name1-(1H-benzimidazol-2-yl)-4-(4-hydroxyphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID135656012
Molecular FormulaC20H17N5O2
Molecular Weight359.39 g/mol
Exact Mass359.14
IUPAC Name1-(1H-benzimidazol-2-yl)-4-(4-hydroxyphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1nn(-c2nc3ccccc3[nH]2)c2c1C(c1ccc(O)cc1)CC(=O)N2
InChIInChI=1S/C20H17N5O2/c1-11-18-14(12-6-8-13(26)9-7-12)10-17(27)23-19(18)25(24-11)20-21-15-4-2-3-5-16(15)22-20/h2-9,14,26H,10H2,1H3,(H,21,22)(H,23,27)
InChIKeyXYUAMEZVOKWBMU-UHFFFAOYSA-N
XLogP3.24
TPSA95.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-benzimidazol-2-yl)-4-(4-hydroxyphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 1-(1H-benzimidazol-2-yl)-4-(4-hydroxyphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (CID 135656012) is 1-(1H-benzimidazol-2-yl)-4-(4-hydroxyphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 1-(1H-benzimidazol-2-yl)-4-(4-hydroxyphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 1-(1H-benzimidazol-2-yl)-4-(4-hydroxyphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is Cc1nn(-c2nc3ccccc3[nH]2)c2c1C(c1ccc(O)cc1)CC(=O)N2.
What is the InChIKey of 1-(1H-benzimidazol-2-yl)-4-(4-hydroxyphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is XYUAMEZVOKWBMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O2/c1-11-18-14(12-6-8-13(26)9-7-12)10-17(27)23-19(18)25(24-11)20-21-15-4-2-3-5-16(15)22-20/h2-9,14,26H,10H2,1H3,(H,21,22)(H,23,27).
What are the key properties of 1-(1H-benzimidazol-2-yl)-4-(4-hydroxyphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
1-(1H-benzimidazol-2-yl)-4-(4-hydroxyphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 359.39 g/mol, XLogP of 3.24, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-benzimidazol-2-yl)-4-(4-hydroxyphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 135656012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).