N-(6-chloro-3,4-dihydro-2H-chromen-3-yl)-3-pyridin-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide

C22H21ClN4O2 — CID 166652096

IUPACN-(6-chloro-3,4-dihydro-2H-chromen-3-yl)-3-pyridin-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
SMILESO=C(NC1COc2ccc(Cl)cc2C1)c1nc2n(c1-c1ccccn1)CCCC2
InChIInChI=1S/C22H21ClN4O2/c23-15-7-8-18-14(11-15)12-16(13-29-18)25-22(28)20-21(17-5-1-3-9-24-17)27-10-4-2-6-19(27)26-20/h1,3,5,7-9,11,16H,2,4,6,10,12-13H2,(H,25,28)
InChIKeyJFWSFCJOOZYMQV-UHFFFAOYSA-N
MW408.89 g/mol
LogP3.67
Rot. Bonds3

About N-(6-chloro-3,4-dihydro-2H-chromen-3-yl)-3-pyridin-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide

N-(6-chloro-3,4-dihydro-2H-chromen-3-yl)-3-pyridin-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 166652096) has the molecular formula C22H21ClN4O2 and a molecular weight of 408.89 g/mol. Its IUPAC name is N-(6-chloro-3,4-dihydro-2H-chromen-3-yl)-3-pyridin-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(6-chloro-3,4-dihydro-2H-chromen-3-yl)-3-pyridin-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
PubChem CID166652096
Molecular FormulaC22H21ClN4O2
Molecular Weight408.89 g/mol
Exact Mass408.14
IUPAC NameN-(6-chloro-3,4-dihydro-2H-chromen-3-yl)-3-pyridin-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
SMILESO=C(NC1COc2ccc(Cl)cc2C1)c1nc2n(c1-c1ccccn1)CCCC2
InChIInChI=1S/C22H21ClN4O2/c23-15-7-8-18-14(11-15)12-16(13-29-18)25-22(28)20-21(17-5-1-3-9-24-17)27-10-4-2-6-19(27)26-20/h1,3,5,7-9,11,16H,2,4,6,10,12-13H2,(H,25,28)
InChIKeyJFWSFCJOOZYMQV-UHFFFAOYSA-N
XLogP3.67
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.89
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(6-chloro-3,4-dihydro-2H-chromen-3-yl)-3-pyridin-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-3,4-dihydro-2H-chromen-3-yl)-3-pyridin-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of N-(6-chloro-3,4-dihydro-2H-chromen-3-yl)-3-pyridin-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide (CID 166652096) is N-(6-chloro-3,4-dihydro-2H-chromen-3-yl)-3-pyridin-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for N-(6-chloro-3,4-dihydro-2H-chromen-3-yl)-3-pyridin-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for N-(6-chloro-3,4-dihydro-2H-chromen-3-yl)-3-pyridin-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide is O=C(NC1COc2ccc(Cl)cc2C1)c1nc2n(c1-c1ccccn1)CCCC2.
What is the InChIKey of N-(6-chloro-3,4-dihydro-2H-chromen-3-yl)-3-pyridin-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is JFWSFCJOOZYMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN4O2/c23-15-7-8-18-14(11-15)12-16(13-29-18)25-22(28)20-21(17-5-1-3-9-24-17)27-10-4-2-6-19(27)26-20/h1,3,5,7-9,11,16H,2,4,6,10,12-13H2,(H,25,28).
What are the key properties of N-(6-chloro-3,4-dihydro-2H-chromen-3-yl)-3-pyridin-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide?
N-(6-chloro-3,4-dihydro-2H-chromen-3-yl)-3-pyridin-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 408.89 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-3,4-dihydro-2H-chromen-3-yl)-3-pyridin-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 166652096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).