N-(1H-benzimidazol-2-yl)-3-(1,3,4-trimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)propanamide

C19H20N6O2 — CID 135901411

IUPACN-(1H-benzimidazol-2-yl)-3-(1,3,4-trimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)propanamide
SMILESCc1nn(C)c2[nH]c(=O)c(CCC(=O)Nc3nc4ccccc4[nH]3)c(C)c12
InChIInChI=1S/C19H20N6O2/c1-10-12(18(27)23-17-16(10)11(2)24-25(17)3)8-9-15(26)22-19-20-13-6-4-5-7-14(13)21-19/h4-7H,8-9H2,1-3H3,(H,23,27)(H2,20,21,22,26)
InChIKeyYJQISTANUOVWPC-UHFFFAOYSA-N
MW364.41 g/mol
LogP2.33
Rot. Bonds4

About N-(1H-benzimidazol-2-yl)-3-(1,3,4-trimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)propanamide

N-(1H-benzimidazol-2-yl)-3-(1,3,4-trimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)propanamide (PubChem CID 135901411) has the molecular formula C19H20N6O2 and a molecular weight of 364.41 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-3-(1,3,4-trimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)propanamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-3-(1,3,4-trimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)propanamide
PubChem CID135901411
Molecular FormulaC19H20N6O2
Molecular Weight364.41 g/mol
Exact Mass364.16
IUPAC NameN-(1H-benzimidazol-2-yl)-3-(1,3,4-trimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)propanamide
SMILESCc1nn(C)c2[nH]c(=O)c(CCC(=O)Nc3nc4ccccc4[nH]3)c(C)c12
InChIInChI=1S/C19H20N6O2/c1-10-12(18(27)23-17-16(10)11(2)24-25(17)3)8-9-15(26)22-19-20-13-6-4-5-7-14(13)21-19/h4-7H,8-9H2,1-3H3,(H,23,27)(H2,20,21,22,26)
InChIKeyYJQISTANUOVWPC-UHFFFAOYSA-N
XLogP2.33
TPSA108.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 136898177
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Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-3-(1,3,4-trimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)propanamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-3-(1,3,4-trimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)propanamide (CID 135901411) is N-(1H-benzimidazol-2-yl)-3-(1,3,4-trimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)propanamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-3-(1,3,4-trimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)propanamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-3-(1,3,4-trimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)propanamide is Cc1nn(C)c2[nH]c(=O)c(CCC(=O)Nc3nc4ccccc4[nH]3)c(C)c12.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-3-(1,3,4-trimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)propanamide?
The InChIKey is YJQISTANUOVWPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O2/c1-10-12(18(27)23-17-16(10)11(2)24-25(17)3)8-9-15(26)22-19-20-13-6-4-5-7-14(13)21-19/h4-7H,8-9H2,1-3H3,(H,23,27)(H2,20,21,22,26).
What are the key properties of N-(1H-benzimidazol-2-yl)-3-(1,3,4-trimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)propanamide?
N-(1H-benzimidazol-2-yl)-3-(1,3,4-trimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)propanamide has a molecular weight of 364.41 g/mol, XLogP of 2.33, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-3-(1,3,4-trimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)propanamide is sourced from PubChem (CID 135901411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).