N-[4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]thiophene-2-carboxamide

C24H24N4OS — CID 1442508

IUPACN-[4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(-c2nc3ccccn3c2NC2CCCCC2)cc1)c1cccs1
InChIInChI=1S/C24H24N4OS/c29-24(20-9-6-16-30-20)26-19-13-11-17(12-14-19)22-23(25-18-7-2-1-3-8-18)28-15-5-4-10-21(28)27-22/h4-6,9-16,18,25H,1-3,7-8H2,(H,26,29)
InChIKeyNINQBDFAFZBRJS-UHFFFAOYSA-N
MW416.55 g/mol
LogP6.06
Rot. Bonds5

About N-[4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]thiophene-2-carboxamide

N-[4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]thiophene-2-carboxamide (PubChem CID 1442508) has the molecular formula C24H24N4OS and a molecular weight of 416.55 g/mol. Its IUPAC name is N-[4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]thiophene-2-carboxamide
PubChem CID1442508
Molecular FormulaC24H24N4OS
Molecular Weight416.55 g/mol
Exact Mass416.17
IUPAC NameN-[4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(-c2nc3ccccn3c2NC2CCCCC2)cc1)c1cccs1
InChIInChI=1S/C24H24N4OS/c29-24(20-9-6-16-30-20)26-19-13-11-17(12-14-19)22-23(25-18-7-2-1-3-8-18)28-15-5-4-10-21(28)27-22/h4-6,9-16,18,25H,1-3,7-8H2,(H,26,29)
InChIKeyNINQBDFAFZBRJS-UHFFFAOYSA-N
XLogP6.06
TPSA58.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.55
LogP ≤ 56.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]thiophene-2-carboxamide (CID 1442508) is N-[4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]thiophene-2-carboxamide is O=C(Nc1ccc(-c2nc3ccccn3c2NC2CCCCC2)cc1)c1cccs1.
What is the InChIKey of N-[4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]thiophene-2-carboxamide?
The InChIKey is NINQBDFAFZBRJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4OS/c29-24(20-9-6-16-30-20)26-19-13-11-17(12-14-19)22-23(25-18-7-2-1-3-8-18)28-15-5-4-10-21(28)27-22/h4-6,9-16,18,25H,1-3,7-8H2,(H,26,29).
What are the key properties of N-[4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]thiophene-2-carboxamide?
N-[4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]thiophene-2-carboxamide has a molecular weight of 416.55 g/mol, XLogP of 6.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 1442508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).