8-(4,4-difluoropiperidin-1-yl)-3-(5-methylthiophen-2-yl)-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)propyl]imidazo[1,2-a]pyridine-6-carboxamide

C23H25F2N7OS — CID 118168030

IUPAC8-(4,4-difluoropiperidin-1-yl)-3-(5-methylthiophen-2-yl)-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)propyl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESCC[C@H](NC(=O)c1cc(N2CCC(F)(F)CC2)c2ncc(-c3ccc(C)s3)n2c1)c1ncn[nH]1
InChIInChI=1S/C23H25F2N7OS/c1-3-16(20-27-13-28-30-20)29-22(33)15-10-17(31-8-6-23(24,25)7-9-31)21-26-11-18(32(21)12-15)19-5-4-14(2)34-19/h4-5,10-13,16H,3,6-9H2,1-2H3,(H,29,33)(H,27,28,30)/t16-/m0/s1
InChIKeySEVKOGRMAUOXJM-INIZCTEOSA-N
MW485.56 g/mol
LogP4.61
Rot. Bonds6

About 8-(4,4-difluoropiperidin-1-yl)-3-(5-methylthiophen-2-yl)-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)propyl]imidazo[1,2-a]pyridine-6-carboxamide

8-(4,4-difluoropiperidin-1-yl)-3-(5-methylthiophen-2-yl)-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)propyl]imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 118168030) has the molecular formula C23H25F2N7OS and a molecular weight of 485.56 g/mol. Its IUPAC name is 8-(4,4-difluoropiperidin-1-yl)-3-(5-methylthiophen-2-yl)-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)propyl]imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name8-(4,4-difluoropiperidin-1-yl)-3-(5-methylthiophen-2-yl)-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)propyl]imidazo[1,2-a]pyridine-6-carboxamide
PubChem CID118168030
Molecular FormulaC23H25F2N7OS
Molecular Weight485.56 g/mol
Exact Mass485.18
IUPAC Name8-(4,4-difluoropiperidin-1-yl)-3-(5-methylthiophen-2-yl)-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)propyl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESCC[C@H](NC(=O)c1cc(N2CCC(F)(F)CC2)c2ncc(-c3ccc(C)s3)n2c1)c1ncn[nH]1
InChIInChI=1S/C23H25F2N7OS/c1-3-16(20-27-13-28-30-20)29-22(33)15-10-17(31-8-6-23(24,25)7-9-31)21-26-11-18(32(21)12-15)19-5-4-14(2)34-19/h4-5,10-13,16H,3,6-9H2,1-2H3,(H,29,33)(H,27,28,30)/t16-/m0/s1
InChIKeySEVKOGRMAUOXJM-INIZCTEOSA-N
XLogP4.61
TPSA91.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.56
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 8-(4,4-difluoropiperidin-1-yl)-3-(5-methylthiophen-2-yl)-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)propyl]imidazo[1,2-a]pyridine-6-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 8-(4,4-difluoropiperidin-1-yl)-3-(5-methylthiophen-2-yl)-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)propyl]imidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of 8-(4,4-difluoropiperidin-1-yl)-3-(5-methylthiophen-2-yl)-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)propyl]imidazo[1,2-a]pyridine-6-carboxamide (CID 118168030) is 8-(4,4-difluoropiperidin-1-yl)-3-(5-methylthiophen-2-yl)-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)propyl]imidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for 8-(4,4-difluoropiperidin-1-yl)-3-(5-methylthiophen-2-yl)-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)propyl]imidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for 8-(4,4-difluoropiperidin-1-yl)-3-(5-methylthiophen-2-yl)-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)propyl]imidazo[1,2-a]pyridine-6-carboxamide is CC[C@H](NC(=O)c1cc(N2CCC(F)(F)CC2)c2ncc(-c3ccc(C)s3)n2c1)c1ncn[nH]1.
What is the InChIKey of 8-(4,4-difluoropiperidin-1-yl)-3-(5-methylthiophen-2-yl)-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)propyl]imidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is SEVKOGRMAUOXJM-INIZCTEOSA-N. The full InChI is InChI=1S/C23H25F2N7OS/c1-3-16(20-27-13-28-30-20)29-22(33)15-10-17(31-8-6-23(24,25)7-9-31)21-26-11-18(32(21)12-15)19-5-4-14(2)34-19/h4-5,10-13,16H,3,6-9H2,1-2H3,(H,29,33)(H,27,28,30)/t16-/m0/s1.
What are the key properties of 8-(4,4-difluoropiperidin-1-yl)-3-(5-methylthiophen-2-yl)-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)propyl]imidazo[1,2-a]pyridine-6-carboxamide?
8-(4,4-difluoropiperidin-1-yl)-3-(5-methylthiophen-2-yl)-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)propyl]imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 485.56 g/mol, XLogP of 4.61, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4,4-difluoropiperidin-1-yl)-3-(5-methylthiophen-2-yl)-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)propyl]imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 118168030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).