N-[4-[4-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]phenyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

C24H29N5O3S — CID 123484750

IUPACN-[4-[4-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]phenyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESCS(=O)(=O)N1CCN(CCc2ccc(-c3cccn4nc(NC(=O)C5CC5)cc34)cc2)CC1
InChIInChI=1S/C24H29N5O3S/c1-33(31,32)28-15-13-27(14-16-28)12-10-18-4-6-19(7-5-18)21-3-2-11-29-22(21)17-23(26-29)25-24(30)20-8-9-20/h2-7,11,17,20H,8-10,12-16H2,1H3,(H,25,26,30)
InChIKeyQAYZPYXCOQDDAT-UHFFFAOYSA-N
MW467.60 g/mol
LogP2.47
Rot. Bonds7

About N-[4-[4-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]phenyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

N-[4-[4-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]phenyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 123484750) has the molecular formula C24H29N5O3S and a molecular weight of 467.60 g/mol. Its IUPAC name is N-[4-[4-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]phenyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[4-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]phenyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
PubChem CID123484750
Molecular FormulaC24H29N5O3S
Molecular Weight467.60 g/mol
Exact Mass467.20
IUPAC NameN-[4-[4-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]phenyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESCS(=O)(=O)N1CCN(CCc2ccc(-c3cccn4nc(NC(=O)C5CC5)cc34)cc2)CC1
InChIInChI=1S/C24H29N5O3S/c1-33(31,32)28-15-13-27(14-16-28)12-10-18-4-6-19(7-5-18)21-3-2-11-29-22(21)17-23(26-29)25-24(30)20-8-9-20/h2-7,11,17,20H,8-10,12-16H2,1H3,(H,25,26,30)
InChIKeyQAYZPYXCOQDDAT-UHFFFAOYSA-N
XLogP2.47
TPSA87.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.60
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]phenyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[4-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]phenyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (CID 123484750) is N-[4-[4-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]phenyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[4-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]phenyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[4-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]phenyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is CS(=O)(=O)N1CCN(CCc2ccc(-c3cccn4nc(NC(=O)C5CC5)cc34)cc2)CC1.
What is the InChIKey of N-[4-[4-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]phenyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The InChIKey is QAYZPYXCOQDDAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O3S/c1-33(31,32)28-15-13-27(14-16-28)12-10-18-4-6-19(7-5-18)21-3-2-11-29-22(21)17-23(26-29)25-24(30)20-8-9-20/h2-7,11,17,20H,8-10,12-16H2,1H3,(H,25,26,30).
What are the key properties of N-[4-[4-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]phenyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
N-[4-[4-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]phenyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 467.60 g/mol, XLogP of 2.47, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]phenyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 123484750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).