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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Related Compounds

4-[6-[4-(4-ethylpiperidine-1-carbonyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]benzonitrile
CID 148782489
4-[6-[4-[(1-methylpiperidin-4-yl)methyl]phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile
CID 130331359
N-[1-[4-[3-(4-chlorophenyl)imidazo[1,2-a]pyrazin-6-yl]benzoyl]piperidin-4-yl]acetamide
CID 134504993
2,2,2-trifluoro-N-[1-[4-[3-(4-methylphenyl)imidazo[1,2-a]pyrazin-6-yl]benzoyl]piperidin-4-yl]acetamide
CID 134504954
N-(4-cyanophenyl)-3-[4-(cyclopropylcarbamoyl)phenyl]-N-methylimidazo[1,2-a]pyrazine-6-carboxamide
CID 90157441
piperazin-1-yl-[4-(3-quinolin-3-ylimidazo[1,2-a]pyridin-6-yl)phenyl]methanone
CID 164625188
tert-butyl 4-[5-[3-(4-cyanophenyl)imidazo[1,2-a]pyridin-6-yl]-2-(piperazine-1-carbonyl)phenyl]piperazine-1-carboxylate
CID 134504949
4-[6-[3-(hydroxymethyl)-4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile;4-[6-[3-hydroxy-4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile
CID 159247445
[4-[3-[2-[4-(methylamino)phenyl]ethynyl]imidazo[1,2-a]pyridin-6-yl]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 167112800
4-[3-(methylamino)piperidine-1-carbonyl]benzonitrile
CID 62534463
4-[4-(pyridazin-3-ylamino)piperidine-1-carbonyl]benzonitrile
CID 56778506
[4-[3-(4-aminophenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]-morpholin-4-ylmethanone
CID 134505023

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).