N-[(1R,6S)-6-amino-2,2-difluorocyclohexyl]-4-imidazo[1,2-a]pyridin-3-ylthiophene-2-carboxamide

C18H18F2N4OS — CID 67123042

IUPACN-[(1R,6S)-6-amino-2,2-difluorocyclohexyl]-4-imidazo[1,2-a]pyridin-3-ylthiophene-2-carboxamide
SMILESN[C@H]1CCCC(F)(F)[C@@H]1NC(=O)c1cc(-c2cnc3ccccn23)cs1
InChIInChI=1S/C18H18F2N4OS/c19-18(20)6-3-4-12(21)16(18)23-17(25)14-8-11(10-26-14)13-9-22-15-5-1-2-7-24(13)15/h1-2,5,7-10,12,16H,3-4,6,21H2,(H,23,25)/t12-,16+/m0/s1
InChIKeyKFMRAHNQSWXTEG-BLLLJJGKSA-N
MW376.43 g/mol
LogP3.31
Rot. Bonds3

About N-[(1R,6S)-6-amino-2,2-difluorocyclohexyl]-4-imidazo[1,2-a]pyridin-3-ylthiophene-2-carboxamide

N-[(1R,6S)-6-amino-2,2-difluorocyclohexyl]-4-imidazo[1,2-a]pyridin-3-ylthiophene-2-carboxamide (PubChem CID 67123042) has the molecular formula C18H18F2N4OS and a molecular weight of 376.43 g/mol. Its IUPAC name is N-[(1R,6S)-6-amino-2,2-difluorocyclohexyl]-4-imidazo[1,2-a]pyridin-3-ylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(1R,6S)-6-amino-2,2-difluorocyclohexyl]-4-imidazo[1,2-a]pyridin-3-ylthiophene-2-carboxamide
PubChem CID67123042
Molecular FormulaC18H18F2N4OS
Molecular Weight376.43 g/mol
Exact Mass376.12
IUPAC NameN-[(1R,6S)-6-amino-2,2-difluorocyclohexyl]-4-imidazo[1,2-a]pyridin-3-ylthiophene-2-carboxamide
SMILESN[C@H]1CCCC(F)(F)[C@@H]1NC(=O)c1cc(-c2cnc3ccccn23)cs1
InChIInChI=1S/C18H18F2N4OS/c19-18(20)6-3-4-12(21)16(18)23-17(25)14-8-11(10-26-14)13-9-22-15-5-1-2-7-24(13)15/h1-2,5,7-10,12,16H,3-4,6,21H2,(H,23,25)/t12-,16+/m0/s1
InChIKeyKFMRAHNQSWXTEG-BLLLJJGKSA-N
XLogP3.31
TPSA72.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,6S)-6-amino-2,2-difluorocyclohexyl]-4-imidazo[1,2-a]pyridin-3-ylthiophene-2-carboxamide?
The IUPAC name of N-[(1R,6S)-6-amino-2,2-difluorocyclohexyl]-4-imidazo[1,2-a]pyridin-3-ylthiophene-2-carboxamide (CID 67123042) is N-[(1R,6S)-6-amino-2,2-difluorocyclohexyl]-4-imidazo[1,2-a]pyridin-3-ylthiophene-2-carboxamide.
What is the SMILES notation for N-[(1R,6S)-6-amino-2,2-difluorocyclohexyl]-4-imidazo[1,2-a]pyridin-3-ylthiophene-2-carboxamide?
The canonical SMILES for N-[(1R,6S)-6-amino-2,2-difluorocyclohexyl]-4-imidazo[1,2-a]pyridin-3-ylthiophene-2-carboxamide is N[C@H]1CCCC(F)(F)[C@@H]1NC(=O)c1cc(-c2cnc3ccccn23)cs1.
What is the InChIKey of N-[(1R,6S)-6-amino-2,2-difluorocyclohexyl]-4-imidazo[1,2-a]pyridin-3-ylthiophene-2-carboxamide?
The InChIKey is KFMRAHNQSWXTEG-BLLLJJGKSA-N. The full InChI is InChI=1S/C18H18F2N4OS/c19-18(20)6-3-4-12(21)16(18)23-17(25)14-8-11(10-26-14)13-9-22-15-5-1-2-7-24(13)15/h1-2,5,7-10,12,16H,3-4,6,21H2,(H,23,25)/t12-,16+/m0/s1.
What are the key properties of N-[(1R,6S)-6-amino-2,2-difluorocyclohexyl]-4-imidazo[1,2-a]pyridin-3-ylthiophene-2-carboxamide?
N-[(1R,6S)-6-amino-2,2-difluorocyclohexyl]-4-imidazo[1,2-a]pyridin-3-ylthiophene-2-carboxamide has a molecular weight of 376.43 g/mol, XLogP of 3.31, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,6S)-6-amino-2,2-difluorocyclohexyl]-4-imidazo[1,2-a]pyridin-3-ylthiophene-2-carboxamide is sourced from PubChem (CID 67123042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).