N-cyclopentyl-2-[(2-phenylsulfanylacetyl)amino]imidazo[1,2-a]pyridine-3-carboxamide

C21H22N4O2S — CID 155548976

IUPACN-cyclopentyl-2-[(2-phenylsulfanylacetyl)amino]imidazo[1,2-a]pyridine-3-carboxamide
SMILESO=C(CSc1ccccc1)Nc1nc2ccccn2c1C(=O)NC1CCCC1
InChIInChI=1S/C21H22N4O2S/c26-18(14-28-16-10-2-1-3-11-16)24-20-19(21(27)22-15-8-4-5-9-15)25-13-7-6-12-17(25)23-20/h1-3,6-7,10-13,15H,4-5,8-9,14H2,(H,22,27)(H,24,26)
InChIKeyZSHOQYOWBAHHSM-UHFFFAOYSA-N
MW394.50 g/mol
LogP3.74
Rot. Bonds6

About N-cyclopentyl-2-[(2-phenylsulfanylacetyl)amino]imidazo[1,2-a]pyridine-3-carboxamide

N-cyclopentyl-2-[(2-phenylsulfanylacetyl)amino]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 155548976) has the molecular formula C21H22N4O2S and a molecular weight of 394.50 g/mol. Its IUPAC name is N-cyclopentyl-2-[(2-phenylsulfanylacetyl)amino]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[(2-phenylsulfanylacetyl)amino]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID155548976
Molecular FormulaC21H22N4O2S
Molecular Weight394.50 g/mol
Exact Mass394.15
IUPAC NameN-cyclopentyl-2-[(2-phenylsulfanylacetyl)amino]imidazo[1,2-a]pyridine-3-carboxamide
SMILESO=C(CSc1ccccc1)Nc1nc2ccccn2c1C(=O)NC1CCCC1
InChIInChI=1S/C21H22N4O2S/c26-18(14-28-16-10-2-1-3-11-16)24-20-19(21(27)22-15-8-4-5-9-15)25-13-7-6-12-17(25)23-20/h1-3,6-7,10-13,15H,4-5,8-9,14H2,(H,22,27)(H,24,26)
InChIKeyZSHOQYOWBAHHSM-UHFFFAOYSA-N
XLogP3.74
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[(2-phenylsulfanylacetyl)amino]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-cyclopentyl-2-[(2-phenylsulfanylacetyl)amino]imidazo[1,2-a]pyridine-3-carboxamide (CID 155548976) is N-cyclopentyl-2-[(2-phenylsulfanylacetyl)amino]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-cyclopentyl-2-[(2-phenylsulfanylacetyl)amino]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-cyclopentyl-2-[(2-phenylsulfanylacetyl)amino]imidazo[1,2-a]pyridine-3-carboxamide is O=C(CSc1ccccc1)Nc1nc2ccccn2c1C(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-[(2-phenylsulfanylacetyl)amino]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is ZSHOQYOWBAHHSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2S/c26-18(14-28-16-10-2-1-3-11-16)24-20-19(21(27)22-15-8-4-5-9-15)25-13-7-6-12-17(25)23-20/h1-3,6-7,10-13,15H,4-5,8-9,14H2,(H,22,27)(H,24,26).
What are the key properties of N-cyclopentyl-2-[(2-phenylsulfanylacetyl)amino]imidazo[1,2-a]pyridine-3-carboxamide?
N-cyclopentyl-2-[(2-phenylsulfanylacetyl)amino]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 394.50 g/mol, XLogP of 3.74, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[(2-phenylsulfanylacetyl)amino]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 155548976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).