N-[3-chloro-4-[4-[(4-methylsulfonylpiperidin-1-yl)methyl]phenyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

C24H27ClN4O3S — CID 66576168

IUPACN-[3-chloro-4-[4-[(4-methylsulfonylpiperidin-1-yl)methyl]phenyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESCS(=O)(=O)C1CCN(Cc2ccc(-c3cccn4nc(NC(=O)C5CC5)c(Cl)c34)cc2)CC1
InChIInChI=1S/C24H27ClN4O3S/c1-33(31,32)19-10-13-28(14-11-19)15-16-4-6-17(7-5-16)20-3-2-12-29-22(20)21(25)23(27-29)26-24(30)18-8-9-18/h2-7,12,18-19H,8-11,13-15H2,1H3,(H,26,27,30)
InChIKeyMARQXQVNLREUNM-UHFFFAOYSA-N
MW487.03 g/mol
LogP4.01
Rot. Bonds6

About N-[3-chloro-4-[4-[(4-methylsulfonylpiperidin-1-yl)methyl]phenyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

N-[3-chloro-4-[4-[(4-methylsulfonylpiperidin-1-yl)methyl]phenyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 66576168) has the molecular formula C24H27ClN4O3S and a molecular weight of 487.03 g/mol. Its IUPAC name is N-[3-chloro-4-[4-[(4-methylsulfonylpiperidin-1-yl)methyl]phenyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-chloro-4-[4-[(4-methylsulfonylpiperidin-1-yl)methyl]phenyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
PubChem CID66576168
Molecular FormulaC24H27ClN4O3S
Molecular Weight487.03 g/mol
Exact Mass486.15
IUPAC NameN-[3-chloro-4-[4-[(4-methylsulfonylpiperidin-1-yl)methyl]phenyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESCS(=O)(=O)C1CCN(Cc2ccc(-c3cccn4nc(NC(=O)C5CC5)c(Cl)c34)cc2)CC1
InChIInChI=1S/C24H27ClN4O3S/c1-33(31,32)19-10-13-28(14-11-19)15-16-4-6-17(7-5-16)20-3-2-12-29-22(20)21(25)23(27-29)26-24(30)18-8-9-18/h2-7,12,18-19H,8-11,13-15H2,1H3,(H,26,27,30)
InChIKeyMARQXQVNLREUNM-UHFFFAOYSA-N
XLogP4.01
TPSA83.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.03
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-[[4-[2-(cyclopropanecarbonylamino)pyrazolo[1,5-a]pyridin-4-yl]phenyl]methyl]piperazine-1-carboxylate
CID 66576170
N-[4-[4-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]phenyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 123484750
N-(2,3-dichlorophenyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 45019585
N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]cyclopropanecarboxamide
CID 19284488
1-[(1-methylpyrrol-2-yl)methyl]-4-methylsulfonylpiperidine
CID 121183065
N-[5-[4-(piperidin-1-ylmethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 58374651
N-[4-bromo-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-1-methylsulfonylpiperidine-4-carboxamide
CID 19394773
N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-1-methylsulfonylpiperidine-4-carboxamide
CID 19285254
1-[4-(cyanomethyl)-1-[[4-[2-[1-(dimethylamino)ethenyl]phenyl]phenyl]methyl]piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide
CID 166883184
N-(3-acetamidophenyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 45019946
2-amino-5-(2-methoxyphenyl)-6-[4-[(4-methylsulfonylpiperidin-1-yl)methyl]phenyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 164551753
1-(4-chlorophenyl)sulfonyl-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]piperidine-4-carboxamide
CID 19284740

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-[4-[(4-methylsulfonylpiperidin-1-yl)methyl]phenyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[3-chloro-4-[4-[(4-methylsulfonylpiperidin-1-yl)methyl]phenyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (CID 66576168) is N-[3-chloro-4-[4-[(4-methylsulfonylpiperidin-1-yl)methyl]phenyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-chloro-4-[4-[(4-methylsulfonylpiperidin-1-yl)methyl]phenyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-chloro-4-[4-[(4-methylsulfonylpiperidin-1-yl)methyl]phenyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is CS(=O)(=O)C1CCN(Cc2ccc(-c3cccn4nc(NC(=O)C5CC5)c(Cl)c34)cc2)CC1.
What is the InChIKey of N-[3-chloro-4-[4-[(4-methylsulfonylpiperidin-1-yl)methyl]phenyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The InChIKey is MARQXQVNLREUNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN4O3S/c1-33(31,32)19-10-13-28(14-11-19)15-16-4-6-17(7-5-16)20-3-2-12-29-22(20)21(25)23(27-29)26-24(30)18-8-9-18/h2-7,12,18-19H,8-11,13-15H2,1H3,(H,26,27,30).
What are the key properties of N-[3-chloro-4-[4-[(4-methylsulfonylpiperidin-1-yl)methyl]phenyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
N-[3-chloro-4-[4-[(4-methylsulfonylpiperidin-1-yl)methyl]phenyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 487.03 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-[4-[(4-methylsulfonylpiperidin-1-yl)methyl]phenyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 66576168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).