1,5-dimethyl-N-(1-pyrido[2,3-d]pyrimidin-4-ylpiperidin-3-yl)pyrazole-3-carboxamide

C18H21N7O — CID 175650497

IUPAC1,5-dimethyl-N-(1-pyrido[2,3-d]pyrimidin-4-ylpiperidin-3-yl)pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC2CCCN(c3ncnc4ncccc34)C2)nn1C
InChIInChI=1S/C18H21N7O/c1-12-9-15(23-24(12)2)18(26)22-13-5-4-8-25(10-13)17-14-6-3-7-19-16(14)20-11-21-17/h3,6-7,9,11,13H,4-5,8,10H2,1-2H3,(H,22,26)
InChIKeyWJLQTJFIWJKHOQ-UHFFFAOYSA-N
MW351.41 g/mol
LogP1.47
Rot. Bonds3

About 1,5-dimethyl-N-(1-pyrido[2,3-d]pyrimidin-4-ylpiperidin-3-yl)pyrazole-3-carboxamide

1,5-dimethyl-N-(1-pyrido[2,3-d]pyrimidin-4-ylpiperidin-3-yl)pyrazole-3-carboxamide (PubChem CID 175650497) has the molecular formula C18H21N7O and a molecular weight of 351.41 g/mol. Its IUPAC name is 1,5-dimethyl-N-(1-pyrido[2,3-d]pyrimidin-4-ylpiperidin-3-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1,5-dimethyl-N-(1-pyrido[2,3-d]pyrimidin-4-ylpiperidin-3-yl)pyrazole-3-carboxamide
PubChem CID175650497
Molecular FormulaC18H21N7O
Molecular Weight351.41 g/mol
Exact Mass351.18
IUPAC Name1,5-dimethyl-N-(1-pyrido[2,3-d]pyrimidin-4-ylpiperidin-3-yl)pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC2CCCN(c3ncnc4ncccc34)C2)nn1C
InChIInChI=1S/C18H21N7O/c1-12-9-15(23-24(12)2)18(26)22-13-5-4-8-25(10-13)17-14-6-3-7-19-16(14)20-11-21-17/h3,6-7,9,11,13H,4-5,8,10H2,1-2H3,(H,22,26)
InChIKeyWJLQTJFIWJKHOQ-UHFFFAOYSA-N
XLogP1.47
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1,5-dimethyl-N-[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-3-yl]pyrazole-3-carboxamide
CID 172903005
N,1,5-trimethyl-N-(1-pyrido[2,3-d]pyrimidin-4-ylpiperidin-4-yl)pyrazole-3-carboxamide
CID 172881810
N-[1-(3-chloro-5-cyano-2-pyridinyl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide
CID 172891175
1,5-dimethyl-N-[1-(1,3-thiazol-2-yl)piperidin-3-yl]pyrazole-3-carboxamide
CID 172899582
N-[1-(5-bromo-3-cyano-2-pyridinyl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide
CID 172900633
N-[(3R)-1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide
CID 95629403
N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide
CID 172899622
1,5-dimethyl-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrazole-3-carboxamide
CID 172900155
N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide
CID 45209259
N-[1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide
CID 172902803
1,5-dimethyl-N-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]pyrazole-3-carboxamide
CID 172900070
1,5-dimethyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-3-yl]pyrazole-3-carboxamide
CID 172900391

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-N-(1-pyrido[2,3-d]pyrimidin-4-ylpiperidin-3-yl)pyrazole-3-carboxamide?
The IUPAC name of 1,5-dimethyl-N-(1-pyrido[2,3-d]pyrimidin-4-ylpiperidin-3-yl)pyrazole-3-carboxamide (CID 175650497) is 1,5-dimethyl-N-(1-pyrido[2,3-d]pyrimidin-4-ylpiperidin-3-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 1,5-dimethyl-N-(1-pyrido[2,3-d]pyrimidin-4-ylpiperidin-3-yl)pyrazole-3-carboxamide?
The canonical SMILES for 1,5-dimethyl-N-(1-pyrido[2,3-d]pyrimidin-4-ylpiperidin-3-yl)pyrazole-3-carboxamide is Cc1cc(C(=O)NC2CCCN(c3ncnc4ncccc34)C2)nn1C.
What is the InChIKey of 1,5-dimethyl-N-(1-pyrido[2,3-d]pyrimidin-4-ylpiperidin-3-yl)pyrazole-3-carboxamide?
The InChIKey is WJLQTJFIWJKHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O/c1-12-9-15(23-24(12)2)18(26)22-13-5-4-8-25(10-13)17-14-6-3-7-19-16(14)20-11-21-17/h3,6-7,9,11,13H,4-5,8,10H2,1-2H3,(H,22,26).
What are the key properties of 1,5-dimethyl-N-(1-pyrido[2,3-d]pyrimidin-4-ylpiperidin-3-yl)pyrazole-3-carboxamide?
1,5-dimethyl-N-(1-pyrido[2,3-d]pyrimidin-4-ylpiperidin-3-yl)pyrazole-3-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-N-(1-pyrido[2,3-d]pyrimidin-4-ylpiperidin-3-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 175650497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).