N-cyclopropyl-5-(2,6-dimethylpyrimidine-4-carbonyl)-1-[2-(4-methoxyphenyl)ethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

C26H30N6O3 — CID 26226073

IUPACN-cyclopropyl-5-(2,6-dimethylpyrimidine-4-carbonyl)-1-[2-(4-methoxyphenyl)ethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCOc1ccc(CCn2nc(C(=O)NC3CC3)c3c2CCN(C(=O)c2cc(C)nc(C)n2)C3)cc1
InChIInChI=1S/C26H30N6O3/c1-16-14-22(28-17(2)27-16)26(34)31-12-11-23-21(15-31)24(25(33)29-19-6-7-19)30-32(23)13-10-18-4-8-20(35-3)9-5-18/h4-5,8-9,14,19H,6-7,10-13,15H2,1-3H3,(H,29,33)
InChIKeyILEHQDHACNWAEI-UHFFFAOYSA-N
MW474.57 g/mol
LogP2.63
Rot. Bonds7

About N-cyclopropyl-5-(2,6-dimethylpyrimidine-4-carbonyl)-1-[2-(4-methoxyphenyl)ethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

N-cyclopropyl-5-(2,6-dimethylpyrimidine-4-carbonyl)-1-[2-(4-methoxyphenyl)ethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 26226073) has the molecular formula C26H30N6O3 and a molecular weight of 474.57 g/mol. Its IUPAC name is N-cyclopropyl-5-(2,6-dimethylpyrimidine-4-carbonyl)-1-[2-(4-methoxyphenyl)ethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-(2,6-dimethylpyrimidine-4-carbonyl)-1-[2-(4-methoxyphenyl)ethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID26226073
Molecular FormulaC26H30N6O3
Molecular Weight474.57 g/mol
Exact Mass474.24
IUPAC NameN-cyclopropyl-5-(2,6-dimethylpyrimidine-4-carbonyl)-1-[2-(4-methoxyphenyl)ethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCOc1ccc(CCn2nc(C(=O)NC3CC3)c3c2CCN(C(=O)c2cc(C)nc(C)n2)C3)cc1
InChIInChI=1S/C26H30N6O3/c1-16-14-22(28-17(2)27-16)26(34)31-12-11-23-21(15-31)24(25(33)29-19-6-7-19)30-32(23)13-10-18-4-8-20(35-3)9-5-18/h4-5,8-9,14,19H,6-7,10-13,15H2,1-3H3,(H,29,33)
InChIKeyILEHQDHACNWAEI-UHFFFAOYSA-N
XLogP2.63
TPSA102.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.57
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-cyclopropyl-5-(imidazo[1,2-a]pyridine-2-carbonyl)-1-[2-(4-methoxyphenyl)ethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26231470
N-cyclopropyl-1-[2-(4-methoxyphenyl)ethyl]-5-(1,3-thiazole-5-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26228065
N-cyclopropyl-1-[2-(4-methoxyphenyl)ethyl]-5-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26232738
1-[2-(4-methoxyphenyl)ethyl]-5-(6-methylpyridine-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 56715066
1-[2-(4-methoxyphenyl)ethyl]-5-(5-methyl-1H-pyrazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 56718617
N-cyclopropyl-1-[2-(4-methoxyphenyl)ethyl]-5-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26143141
5-(cyclopropanecarbonyl)-1-[2-(4-methoxyphenyl)ethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 56713769
1-[2-(4-methoxyphenyl)ethyl]-5-(5-methyl-1H-imidazole-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 56718705
1-[2-(4-methoxyphenyl)ethyl]-5-(3-methoxypropanoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 56706470
5-[(1R)-2,2-difluorocyclopropanecarbonyl]-1-[2-(4-methoxyphenyl)ethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 95190026
5-(2,2-difluorocyclopropanecarbonyl)-1-[2-(4-methoxyphenyl)ethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 56702063
ethyl 1-[2-(4-methoxyphenyl)ethyl]-5-(1,3-thiazole-5-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 26230545

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-(2,6-dimethylpyrimidine-4-carbonyl)-1-[2-(4-methoxyphenyl)ethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of N-cyclopropyl-5-(2,6-dimethylpyrimidine-4-carbonyl)-1-[2-(4-methoxyphenyl)ethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 26226073) is N-cyclopropyl-5-(2,6-dimethylpyrimidine-4-carbonyl)-1-[2-(4-methoxyphenyl)ethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-(2,6-dimethylpyrimidine-4-carbonyl)-1-[2-(4-methoxyphenyl)ethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-5-(2,6-dimethylpyrimidine-4-carbonyl)-1-[2-(4-methoxyphenyl)ethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is COc1ccc(CCn2nc(C(=O)NC3CC3)c3c2CCN(C(=O)c2cc(C)nc(C)n2)C3)cc1.
What is the InChIKey of N-cyclopropyl-5-(2,6-dimethylpyrimidine-4-carbonyl)-1-[2-(4-methoxyphenyl)ethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is ILEHQDHACNWAEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O3/c1-16-14-22(28-17(2)27-16)26(34)31-12-11-23-21(15-31)24(25(33)29-19-6-7-19)30-32(23)13-10-18-4-8-20(35-3)9-5-18/h4-5,8-9,14,19H,6-7,10-13,15H2,1-3H3,(H,29,33).
What are the key properties of N-cyclopropyl-5-(2,6-dimethylpyrimidine-4-carbonyl)-1-[2-(4-methoxyphenyl)ethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
N-cyclopropyl-5-(2,6-dimethylpyrimidine-4-carbonyl)-1-[2-(4-methoxyphenyl)ethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 474.57 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-(2,6-dimethylpyrimidine-4-carbonyl)-1-[2-(4-methoxyphenyl)ethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 26226073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).