N-methyl-6-[(2S)-1-methylpyrrolidine-2-carbonyl]-N-(2-pyridin-2-ylethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide

C21H28N6O2 — CID 166615358

IUPACN-methyl-6-[(2S)-1-methylpyrrolidine-2-carbonyl]-N-(2-pyridin-2-ylethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
SMILESCN(CCc1ccccn1)C(=O)c1n[nH]c2c1CCN(C(=O)[C@@H]1CCCN1C)C2
InChIInChI=1S/C21H28N6O2/c1-25-11-5-7-18(25)20(28)27-13-9-16-17(14-27)23-24-19(16)21(29)26(2)12-8-15-6-3-4-10-22-15/h3-4,6,10,18H,5,7-9,11-14H2,1-2H3,(H,23,24)/t18-/m0/s1
InChIKeyHRQCNYHOAJZFOC-SFHVURJKSA-N
MW396.50 g/mol
LogP1.10
Rot. Bonds5

About N-methyl-6-[(2S)-1-methylpyrrolidine-2-carbonyl]-N-(2-pyridin-2-ylethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide

N-methyl-6-[(2S)-1-methylpyrrolidine-2-carbonyl]-N-(2-pyridin-2-ylethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide (PubChem CID 166615358) has the molecular formula C21H28N6O2 and a molecular weight of 396.50 g/mol. Its IUPAC name is N-methyl-6-[(2S)-1-methylpyrrolidine-2-carbonyl]-N-(2-pyridin-2-ylethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-6-[(2S)-1-methylpyrrolidine-2-carbonyl]-N-(2-pyridin-2-ylethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
PubChem CID166615358
Molecular FormulaC21H28N6O2
Molecular Weight396.50 g/mol
Exact Mass396.23
IUPAC NameN-methyl-6-[(2S)-1-methylpyrrolidine-2-carbonyl]-N-(2-pyridin-2-ylethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
SMILESCN(CCc1ccccn1)C(=O)c1n[nH]c2c1CCN(C(=O)[C@@H]1CCCN1C)C2
InChIInChI=1S/C21H28N6O2/c1-25-11-5-7-18(25)20(28)27-13-9-16-17(14-27)23-24-19(16)21(29)26(2)12-8-15-6-3-4-10-22-15/h3-4,6,10,18H,5,7-9,11-14H2,1-2H3,(H,23,24)/t18-/m0/s1
InChIKeyHRQCNYHOAJZFOC-SFHVURJKSA-N
XLogP1.10
TPSA85.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.50
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-methyl-6-[(2S)-1-methylpyrrolidine-2-carbonyl]-N-(2-pyridin-2-ylethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide with MolForge

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Related Compounds

1-[methyl(2-pyridin-2-ylethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61195359
4-bromo-5-cyclopropyl-N-methyl-N-(2-pyridin-2-ylethyl)-1H-pyrazole-3-carboxamide
CID 48625263
5-(cyclopropylmethyl)-N-methyl-N-(pyridin-2-ylmethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxamide
CID 97389053
N-methyl-N-(pyridin-2-ylmethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carboxamide
CID 121229497
N,5-dimethyl-N-(pyridin-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 171694648
6-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-(2-pyridin-2-ylethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide;formic acid
CID 171322096
N-(2-pyridin-2-ylethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 71700787
4-fluoro-N-methyl-N-(2-pyridin-2-ylethyl)benzamide;oxalic acid
CID 90483378
N-[2-(2-tert-butylphenoxy)ethyl]-N-methyl-6-(methyl-methylidene-oxo-λ6-sulfanyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 160776482
5-[(2S)-1-(2-methoxyacetyl)pyrrolidin-2-yl]-N-methyl-N-(2-pyridin-2-ylethyl)thiophene-2-carboxamide
CID 30921699
[methyl(2-pyridin-2-ylethyl)carbamoyl]oxymethyl (2S)-1-(2-acetyloxyacetyl)pyrrolidine-2-carboxylate
CID 178172602
5-(2-methoxyacetyl)-N-(pyridin-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 42876698

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-[(2S)-1-methylpyrrolidine-2-carbonyl]-N-(2-pyridin-2-ylethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide?
The IUPAC name of N-methyl-6-[(2S)-1-methylpyrrolidine-2-carbonyl]-N-(2-pyridin-2-ylethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide (CID 166615358) is N-methyl-6-[(2S)-1-methylpyrrolidine-2-carbonyl]-N-(2-pyridin-2-ylethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide.
What is the SMILES notation for N-methyl-6-[(2S)-1-methylpyrrolidine-2-carbonyl]-N-(2-pyridin-2-ylethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide?
The canonical SMILES for N-methyl-6-[(2S)-1-methylpyrrolidine-2-carbonyl]-N-(2-pyridin-2-ylethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide is CN(CCc1ccccn1)C(=O)c1n[nH]c2c1CCN(C(=O)[C@@H]1CCCN1C)C2.
What is the InChIKey of N-methyl-6-[(2S)-1-methylpyrrolidine-2-carbonyl]-N-(2-pyridin-2-ylethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide?
The InChIKey is HRQCNYHOAJZFOC-SFHVURJKSA-N. The full InChI is InChI=1S/C21H28N6O2/c1-25-11-5-7-18(25)20(28)27-13-9-16-17(14-27)23-24-19(16)21(29)26(2)12-8-15-6-3-4-10-22-15/h3-4,6,10,18H,5,7-9,11-14H2,1-2H3,(H,23,24)/t18-/m0/s1.
What are the key properties of N-methyl-6-[(2S)-1-methylpyrrolidine-2-carbonyl]-N-(2-pyridin-2-ylethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide?
N-methyl-6-[(2S)-1-methylpyrrolidine-2-carbonyl]-N-(2-pyridin-2-ylethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide has a molecular weight of 396.50 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-[(2S)-1-methylpyrrolidine-2-carbonyl]-N-(2-pyridin-2-ylethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide is sourced from PubChem (CID 166615358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).