N-[4-[4-[3-(pyrrolidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]sulfonylphenyl]cyclohexanecarboxamide

C30H37N5O4S — CID 139392265

IUPACN-[4-[4-[3-(pyrrolidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]sulfonylphenyl]cyclohexanecarboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCC(c3ccn4ncc(C(=O)N5CCCC5)c4c3)CC2)cc1)C1CCCCC1
InChIInChI=1S/C30H37N5O4S/c36-29(23-6-2-1-3-7-23)32-25-8-10-26(11-9-25)40(38,39)34-17-12-22(13-18-34)24-14-19-35-28(20-24)27(21-31-35)30(37)33-15-4-5-16-33/h8-11,14,19-23H,1-7,12-13,15-18H2,(H,32,36)
InChIKeyRATPOICUZDBEGO-UHFFFAOYSA-N
MW563.72 g/mol
LogP4.66
Rot. Bonds6

About N-[4-[4-[3-(pyrrolidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]sulfonylphenyl]cyclohexanecarboxamide

N-[4-[4-[3-(pyrrolidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]sulfonylphenyl]cyclohexanecarboxamide (PubChem CID 139392265) has the molecular formula C30H37N5O4S and a molecular weight of 563.72 g/mol. Its IUPAC name is N-[4-[4-[3-(pyrrolidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]sulfonylphenyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[4-[4-[3-(pyrrolidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]sulfonylphenyl]cyclohexanecarboxamide
PubChem CID139392265
Molecular FormulaC30H37N5O4S
Molecular Weight563.72 g/mol
Exact Mass563.26
IUPAC NameN-[4-[4-[3-(pyrrolidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]sulfonylphenyl]cyclohexanecarboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCC(c3ccn4ncc(C(=O)N5CCCC5)c4c3)CC2)cc1)C1CCCCC1
InChIInChI=1S/C30H37N5O4S/c36-29(23-6-2-1-3-7-23)32-25-8-10-26(11-9-25)40(38,39)34-17-12-22(13-18-34)24-14-19-35-28(20-24)27(21-31-35)30(37)33-15-4-5-16-33/h8-11,14,19-23H,1-7,12-13,15-18H2,(H,32,36)
InChIKeyRATPOICUZDBEGO-UHFFFAOYSA-N
XLogP4.66
TPSA104.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500563.72
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

azepan-1-yl-[5-[1-(benzenesulfonyl)piperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]methanone
CID 160628943
[5-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-piperidin-1-ylmethanone
CID 50849054
[5-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-morpholin-4-ylmethanone
CID 50848733
[5-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-pyrrolidin-1-ylmethanone
CID 50849086
[5-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 50848895
N-(4-piperidin-1-ylsulfonylphenyl)cyclohexanecarboxamide
CID 1013273
cyclobutyl-[4-[3-(4-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone
CID 50848877
[5-[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-morpholin-4-ylmethanone
CID 50848962
N-(3-methylphenyl)-4-[3-(piperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidine-1-carboxamide
CID 50848787
2,2,2-trifluoro-1-[4-[3-(pyrrolidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]ethanone
CID 53041288
N-(3,4-dimethoxyphenyl)-4-[3-(pyrrolidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidine-1-carboxamide
CID 50848915
5-[1-[4-(4-aminobutanoylamino)phenyl]sulfonylpiperidin-4-yl]-N,N-diethylpyrazolo[1,5-a]pyridine-3-carboxamide
CID 139391996

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[3-(pyrrolidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]sulfonylphenyl]cyclohexanecarboxamide?
The IUPAC name of N-[4-[4-[3-(pyrrolidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]sulfonylphenyl]cyclohexanecarboxamide (CID 139392265) is N-[4-[4-[3-(pyrrolidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]sulfonylphenyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[4-[4-[3-(pyrrolidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]sulfonylphenyl]cyclohexanecarboxamide?
The canonical SMILES for N-[4-[4-[3-(pyrrolidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]sulfonylphenyl]cyclohexanecarboxamide is O=C(Nc1ccc(S(=O)(=O)N2CCC(c3ccn4ncc(C(=O)N5CCCC5)c4c3)CC2)cc1)C1CCCCC1.
What is the InChIKey of N-[4-[4-[3-(pyrrolidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]sulfonylphenyl]cyclohexanecarboxamide?
The InChIKey is RATPOICUZDBEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37N5O4S/c36-29(23-6-2-1-3-7-23)32-25-8-10-26(11-9-25)40(38,39)34-17-12-22(13-18-34)24-14-19-35-28(20-24)27(21-31-35)30(37)33-15-4-5-16-33/h8-11,14,19-23H,1-7,12-13,15-18H2,(H,32,36).
What are the key properties of N-[4-[4-[3-(pyrrolidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]sulfonylphenyl]cyclohexanecarboxamide?
N-[4-[4-[3-(pyrrolidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]sulfonylphenyl]cyclohexanecarboxamide has a molecular weight of 563.72 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[3-(pyrrolidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]sulfonylphenyl]cyclohexanecarboxamide is sourced from PubChem (CID 139392265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).