N-[1-cyclobutyl-3-(cyclopropylcarbamoyl)pyrazol-4-yl]-6-(2-pyrazolidin-1-ylpyrazol-3-yl)pyridine-2-carboxamide

C23H27N9O2 — CID 176705407

IUPACN-[1-cyclobutyl-3-(cyclopropylcarbamoyl)pyrazol-4-yl]-6-(2-pyrazolidin-1-ylpyrazol-3-yl)pyridine-2-carboxamide
SMILESO=C(Nc1cn(C2CCC2)nc1C(=O)NC1CC1)c1cccc(-c2ccnn2N2CCCN2)n1
InChIInChI=1S/C23H27N9O2/c33-22(18-7-2-6-17(27-18)20-10-12-25-32(20)31-13-3-11-24-31)28-19-14-30(16-4-1-5-16)29-21(19)23(34)26-15-8-9-15/h2,6-7,10,12,14-16,24H,1,3-5,8-9,11,13H2,(H,26,34)(H,28,33)
InChIKeyMVMLAQAQFLSODK-UHFFFAOYSA-N
MW461.53 g/mol
LogP1.86
Rot. Bonds7

About N-[1-cyclobutyl-3-(cyclopropylcarbamoyl)pyrazol-4-yl]-6-(2-pyrazolidin-1-ylpyrazol-3-yl)pyridine-2-carboxamide

N-[1-cyclobutyl-3-(cyclopropylcarbamoyl)pyrazol-4-yl]-6-(2-pyrazolidin-1-ylpyrazol-3-yl)pyridine-2-carboxamide (PubChem CID 176705407) has the molecular formula C23H27N9O2 and a molecular weight of 461.53 g/mol. Its IUPAC name is N-[1-cyclobutyl-3-(cyclopropylcarbamoyl)pyrazol-4-yl]-6-(2-pyrazolidin-1-ylpyrazol-3-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-cyclobutyl-3-(cyclopropylcarbamoyl)pyrazol-4-yl]-6-(2-pyrazolidin-1-ylpyrazol-3-yl)pyridine-2-carboxamide
PubChem CID176705407
Molecular FormulaC23H27N9O2
Molecular Weight461.53 g/mol
Exact Mass461.23
IUPAC NameN-[1-cyclobutyl-3-(cyclopropylcarbamoyl)pyrazol-4-yl]-6-(2-pyrazolidin-1-ylpyrazol-3-yl)pyridine-2-carboxamide
SMILESO=C(Nc1cn(C2CCC2)nc1C(=O)NC1CC1)c1cccc(-c2ccnn2N2CCCN2)n1
InChIInChI=1S/C23H27N9O2/c33-22(18-7-2-6-17(27-18)20-10-12-25-32(20)31-13-3-11-24-31)28-19-14-30(16-4-1-5-16)29-21(19)23(34)26-15-8-9-15/h2,6-7,10,12,14-16,24H,1,3-5,8-9,11,13H2,(H,26,34)(H,28,33)
InChIKeyMVMLAQAQFLSODK-UHFFFAOYSA-N
XLogP1.86
TPSA122.00 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.53
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

N-[1-cyclobutyl-3-(cyclopropylcarbamoyl)pyrazol-4-yl]-5-(1-pyrazolidin-1-yl-2H-pyridin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 176705636
N-[3-(cyclopropylcarbamoyl)-1-pyridin-3-ylpyrazol-4-yl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide
CID 176705477
4-[[6-[1-(6-aminohexyl)pyrazol-4-yl]pyridine-2-carbonyl]amino]-1-(oxan-4-yl)pyrazole-3-carboxylic acid
CID 122445367
N-[1-cyclohexyl-3-(3,5-difluoro-2-pyridinyl)pyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide
CID 142338646
N-(1-cyclobutyl-3-methoxypyrazol-4-yl)-3-(1-pyrazolidin-1-yl-2H-pyrazin-5-yl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 176705648
N-(1-benzylpiperidin-4-yl)-6-phenylpyridine-2-carboxamide
CID 117082142
N-[1-cyclohexyl-3-(methylcarbamoyl)pyrazol-4-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;ethane
CID 158415687
2-N-cycloheptyl-6-N-cyclopropylpyridine-2,6-dicarboxamide
CID 109093881
6-N-cyclopropyl-2-N-(2-fluorophenyl)pyridine-2,6-dicarboxamide
CID 109093918
4-[(2,6-dichlorobenzoyl)amino]-1-methylsulfonyl-N-piperidin-4-ylpyrazole-3-carboxamide
CID 171649605
6-chloro-N-cyclobutylpyridine-2-carboxamide
CID 62416543
N-(3-amino-1-cyclobutylpyrazol-4-yl)-5-(1-pyrazolidin-1-yl-2H-pyrazin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 176705767

Frequently Asked Questions

What is the IUPAC name of N-[1-cyclobutyl-3-(cyclopropylcarbamoyl)pyrazol-4-yl]-6-(2-pyrazolidin-1-ylpyrazol-3-yl)pyridine-2-carboxamide?
The IUPAC name of N-[1-cyclobutyl-3-(cyclopropylcarbamoyl)pyrazol-4-yl]-6-(2-pyrazolidin-1-ylpyrazol-3-yl)pyridine-2-carboxamide (CID 176705407) is N-[1-cyclobutyl-3-(cyclopropylcarbamoyl)pyrazol-4-yl]-6-(2-pyrazolidin-1-ylpyrazol-3-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-[1-cyclobutyl-3-(cyclopropylcarbamoyl)pyrazol-4-yl]-6-(2-pyrazolidin-1-ylpyrazol-3-yl)pyridine-2-carboxamide?
The canonical SMILES for N-[1-cyclobutyl-3-(cyclopropylcarbamoyl)pyrazol-4-yl]-6-(2-pyrazolidin-1-ylpyrazol-3-yl)pyridine-2-carboxamide is O=C(Nc1cn(C2CCC2)nc1C(=O)NC1CC1)c1cccc(-c2ccnn2N2CCCN2)n1.
What is the InChIKey of N-[1-cyclobutyl-3-(cyclopropylcarbamoyl)pyrazol-4-yl]-6-(2-pyrazolidin-1-ylpyrazol-3-yl)pyridine-2-carboxamide?
The InChIKey is MVMLAQAQFLSODK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N9O2/c33-22(18-7-2-6-17(27-18)20-10-12-25-32(20)31-13-3-11-24-31)28-19-14-30(16-4-1-5-16)29-21(19)23(34)26-15-8-9-15/h2,6-7,10,12,14-16,24H,1,3-5,8-9,11,13H2,(H,26,34)(H,28,33).
What are the key properties of N-[1-cyclobutyl-3-(cyclopropylcarbamoyl)pyrazol-4-yl]-6-(2-pyrazolidin-1-ylpyrazol-3-yl)pyridine-2-carboxamide?
N-[1-cyclobutyl-3-(cyclopropylcarbamoyl)pyrazol-4-yl]-6-(2-pyrazolidin-1-ylpyrazol-3-yl)pyridine-2-carboxamide has a molecular weight of 461.53 g/mol, XLogP of 1.86, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyclobutyl-3-(cyclopropylcarbamoyl)pyrazol-4-yl]-6-(2-pyrazolidin-1-ylpyrazol-3-yl)pyridine-2-carboxamide is sourced from PubChem (CID 176705407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).