1-(2-chlorophenyl)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)pyrazole-4-carboxamide

C18H15ClN6O — CID 49158796

IUPAC1-(2-chlorophenyl)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)pyrazole-4-carboxamide
SMILESCc1nn(C)c2ncc(NC(=O)c3cnn(-c4ccccc4Cl)c3)cc12
InChIInChI=1S/C18H15ClN6O/c1-11-14-7-13(9-20-17(14)24(2)23-11)22-18(26)12-8-21-25(10-12)16-6-4-3-5-15(16)19/h3-10H,1-2H3,(H,22,26)
InChIKeyRHAQCTXWNFCWOQ-UHFFFAOYSA-N
MW366.81 g/mol
LogP3.37
Rot. Bonds3

About 1-(2-chlorophenyl)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)pyrazole-4-carboxamide

1-(2-chlorophenyl)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)pyrazole-4-carboxamide (PubChem CID 49158796) has the molecular formula C18H15ClN6O and a molecular weight of 366.81 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)pyrazole-4-carboxamide
PubChem CID49158796
Molecular FormulaC18H15ClN6O
Molecular Weight366.81 g/mol
Exact Mass366.10
IUPAC Name1-(2-chlorophenyl)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)pyrazole-4-carboxamide
SMILESCc1nn(C)c2ncc(NC(=O)c3cnn(-c4ccccc4Cl)c3)cc12
InChIInChI=1S/C18H15ClN6O/c1-11-14-7-13(9-20-17(14)24(2)23-11)22-18(26)12-8-21-25(10-12)16-6-4-3-5-15(16)19/h3-10H,1-2H3,(H,22,26)
InChIKeyRHAQCTXWNFCWOQ-UHFFFAOYSA-N
XLogP3.37
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.81
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-chlorophenyl)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 55515718
5-chloro-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)thiophene-2-carboxamide
CID 31520160
2-(2-chlorophenyl)sulfanyl-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)acetamide
CID 51334528
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)thiophene-3-carboxamide
CID 31520445
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3,4-dimethylbenzamide
CID 51334456
N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 78889380
3-cyano-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)benzamide
CID 31520219
4-chloro-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(dimethylsulfamoyl)benzamide
CID 55515651
2-chloro-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-4,5-difluorobenzamide
CID 51334457
4-chloro-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)benzamide
CID 31520075
1-(2-chlorophenyl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)pyrazole-4-carboxamide
CID 49193462
2-chloro-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-5-methylsulfonylbenzamide
CID 31520358

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)pyrazole-4-carboxamide?
The IUPAC name of 1-(2-chlorophenyl)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)pyrazole-4-carboxamide (CID 49158796) is 1-(2-chlorophenyl)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)pyrazole-4-carboxamide is Cc1nn(C)c2ncc(NC(=O)c3cnn(-c4ccccc4Cl)c3)cc12.
What is the InChIKey of 1-(2-chlorophenyl)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)pyrazole-4-carboxamide?
The InChIKey is RHAQCTXWNFCWOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN6O/c1-11-14-7-13(9-20-17(14)24(2)23-11)22-18(26)12-8-21-25(10-12)16-6-4-3-5-15(16)19/h3-10H,1-2H3,(H,22,26).
What are the key properties of 1-(2-chlorophenyl)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)pyrazole-4-carboxamide?
1-(2-chlorophenyl)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)pyrazole-4-carboxamide has a molecular weight of 366.81 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 49158796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).