N-[1-[4-[3-(4-cyanophenyl)imidazo[1,2-a]pyridin-6-yl]benzoyl]piperidin-4-yl]methanesulfinamide

C27H25N5O2S — CID 130331388

IUPACN-[1-[4-[3-(4-cyanophenyl)imidazo[1,2-a]pyridin-6-yl]benzoyl]piperidin-4-yl]methanesulfinamide
SMILESCS(=O)NC1CCN(C(=O)c2ccc(-c3ccc4ncc(-c5ccc(C#N)cc5)n4c3)cc2)CC1
InChIInChI=1S/C27H25N5O2S/c1-35(34)30-24-12-14-31(15-13-24)27(33)22-8-6-20(7-9-22)23-10-11-26-29-17-25(32(26)18-23)21-4-2-19(16-28)3-5-21/h2-11,17-18,24,30H,12-15H2,1H3
InChIKeyKKPKDPBBAYKJIA-UHFFFAOYSA-N
MW483.60 g/mol
LogP4.03
Rot. Bonds5

About N-[1-[4-[3-(4-cyanophenyl)imidazo[1,2-a]pyridin-6-yl]benzoyl]piperidin-4-yl]methanesulfinamide

N-[1-[4-[3-(4-cyanophenyl)imidazo[1,2-a]pyridin-6-yl]benzoyl]piperidin-4-yl]methanesulfinamide (PubChem CID 130331388) has the molecular formula C27H25N5O2S and a molecular weight of 483.60 g/mol. Its IUPAC name is N-[1-[4-[3-(4-cyanophenyl)imidazo[1,2-a]pyridin-6-yl]benzoyl]piperidin-4-yl]methanesulfinamide.

Molecular Properties

Compound NameN-[1-[4-[3-(4-cyanophenyl)imidazo[1,2-a]pyridin-6-yl]benzoyl]piperidin-4-yl]methanesulfinamide
PubChem CID130331388
Molecular FormulaC27H25N5O2S
Molecular Weight483.60 g/mol
Exact Mass483.17
IUPAC NameN-[1-[4-[3-(4-cyanophenyl)imidazo[1,2-a]pyridin-6-yl]benzoyl]piperidin-4-yl]methanesulfinamide
SMILESCS(=O)NC1CCN(C(=O)c2ccc(-c3ccc4ncc(-c5ccc(C#N)cc5)n4c3)cc2)CC1
InChIInChI=1S/C27H25N5O2S/c1-35(34)30-24-12-14-31(15-13-24)27(33)22-8-6-20(7-9-22)23-10-11-26-29-17-25(32(26)18-23)21-4-2-19(16-28)3-5-21/h2-11,17-18,24,30H,12-15H2,1H3
InChIKeyKKPKDPBBAYKJIA-UHFFFAOYSA-N
XLogP4.03
TPSA90.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.60
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[3-(4-cyanophenyl)imidazo[1,2-a]pyridin-6-yl]benzoyl]piperidin-4-yl]methanesulfinamide?
The IUPAC name of N-[1-[4-[3-(4-cyanophenyl)imidazo[1,2-a]pyridin-6-yl]benzoyl]piperidin-4-yl]methanesulfinamide (CID 130331388) is N-[1-[4-[3-(4-cyanophenyl)imidazo[1,2-a]pyridin-6-yl]benzoyl]piperidin-4-yl]methanesulfinamide.
What is the SMILES notation for N-[1-[4-[3-(4-cyanophenyl)imidazo[1,2-a]pyridin-6-yl]benzoyl]piperidin-4-yl]methanesulfinamide?
The canonical SMILES for N-[1-[4-[3-(4-cyanophenyl)imidazo[1,2-a]pyridin-6-yl]benzoyl]piperidin-4-yl]methanesulfinamide is CS(=O)NC1CCN(C(=O)c2ccc(-c3ccc4ncc(-c5ccc(C#N)cc5)n4c3)cc2)CC1.
What is the InChIKey of N-[1-[4-[3-(4-cyanophenyl)imidazo[1,2-a]pyridin-6-yl]benzoyl]piperidin-4-yl]methanesulfinamide?
The InChIKey is KKPKDPBBAYKJIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O2S/c1-35(34)30-24-12-14-31(15-13-24)27(33)22-8-6-20(7-9-22)23-10-11-26-29-17-25(32(26)18-23)21-4-2-19(16-28)3-5-21/h2-11,17-18,24,30H,12-15H2,1H3.
What are the key properties of N-[1-[4-[3-(4-cyanophenyl)imidazo[1,2-a]pyridin-6-yl]benzoyl]piperidin-4-yl]methanesulfinamide?
N-[1-[4-[3-(4-cyanophenyl)imidazo[1,2-a]pyridin-6-yl]benzoyl]piperidin-4-yl]methanesulfinamide has a molecular weight of 483.60 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[3-(4-cyanophenyl)imidazo[1,2-a]pyridin-6-yl]benzoyl]piperidin-4-yl]methanesulfinamide is sourced from PubChem (CID 130331388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).