N-methyl-N-(1-methylbenzimidazol-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide

C17H19N5O — CID 86792736

IUPACN-methyl-N-(1-methylbenzimidazol-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCN(C(=O)c1cnn2c1CCCC2)c1nc2ccccc2n1C
InChIInChI=1S/C17H19N5O/c1-20-15-9-4-3-7-13(15)19-17(20)21(2)16(23)12-11-18-22-10-6-5-8-14(12)22/h3-4,7,9,11H,5-6,8,10H2,1-2H3
InChIKeyLZFFYBQCGVWLNI-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.38
Rot. Bonds2

About N-methyl-N-(1-methylbenzimidazol-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide

N-methyl-N-(1-methylbenzimidazol-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 86792736) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is N-methyl-N-(1-methylbenzimidazol-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(1-methylbenzimidazol-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID86792736
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC NameN-methyl-N-(1-methylbenzimidazol-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCN(C(=O)c1cnn2c1CCCC2)c1nc2ccccc2n1C
InChIInChI=1S/C17H19N5O/c1-20-15-9-4-3-7-13(15)19-17(20)21(2)16(23)12-11-18-22-10-6-5-8-14(12)22/h3-4,7,9,11H,5-6,8,10H2,1-2H3
InChIKeyLZFFYBQCGVWLNI-UHFFFAOYSA-N
XLogP2.38
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1-methylbenzimidazol-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of N-methyl-N-(1-methylbenzimidazol-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide (CID 86792736) is N-methyl-N-(1-methylbenzimidazol-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for N-methyl-N-(1-methylbenzimidazol-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for N-methyl-N-(1-methylbenzimidazol-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide is CN(C(=O)c1cnn2c1CCCC2)c1nc2ccccc2n1C.
What is the InChIKey of N-methyl-N-(1-methylbenzimidazol-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is LZFFYBQCGVWLNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c1-20-15-9-4-3-7-13(15)19-17(20)21(2)16(23)12-11-18-22-10-6-5-8-14(12)22/h3-4,7,9,11H,5-6,8,10H2,1-2H3.
What are the key properties of N-methyl-N-(1-methylbenzimidazol-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
N-methyl-N-(1-methylbenzimidazol-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 309.37 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1-methylbenzimidazol-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 86792736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).