N-(6-amino-2,2-difluorocyclohexyl)-4-imidazo[1,2-a]pyridin-3-yl-5-methylthiophene-2-carboxamide

C19H20F2N4OS — CID 46842486

IUPACN-(6-amino-2,2-difluorocyclohexyl)-4-imidazo[1,2-a]pyridin-3-yl-5-methylthiophene-2-carboxamide
SMILESCc1sc(C(=O)NC2C(N)CCCC2(F)F)cc1-c1cnc2ccccn12
InChIInChI=1S/C19H20F2N4OS/c1-11-12(14-10-23-16-6-2-3-8-25(14)16)9-15(27-11)18(26)24-17-13(22)5-4-7-19(17,20)21/h2-3,6,8-10,13,17H,4-5,7,22H2,1H3,(H,24,26)
InChIKeyQBOVNVXXWVRLMT-UHFFFAOYSA-N
MW390.46 g/mol
LogP3.62
Rot. Bonds3

About N-(6-amino-2,2-difluorocyclohexyl)-4-imidazo[1,2-a]pyridin-3-yl-5-methylthiophene-2-carboxamide

N-(6-amino-2,2-difluorocyclohexyl)-4-imidazo[1,2-a]pyridin-3-yl-5-methylthiophene-2-carboxamide (PubChem CID 46842486) has the molecular formula C19H20F2N4OS and a molecular weight of 390.46 g/mol. Its IUPAC name is N-(6-amino-2,2-difluorocyclohexyl)-4-imidazo[1,2-a]pyridin-3-yl-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(6-amino-2,2-difluorocyclohexyl)-4-imidazo[1,2-a]pyridin-3-yl-5-methylthiophene-2-carboxamide
PubChem CID46842486
Molecular FormulaC19H20F2N4OS
Molecular Weight390.46 g/mol
Exact Mass390.13
IUPAC NameN-(6-amino-2,2-difluorocyclohexyl)-4-imidazo[1,2-a]pyridin-3-yl-5-methylthiophene-2-carboxamide
SMILESCc1sc(C(=O)NC2C(N)CCCC2(F)F)cc1-c1cnc2ccccn12
InChIInChI=1S/C19H20F2N4OS/c1-11-12(14-10-23-16-6-2-3-8-25(14)16)9-15(27-11)18(26)24-17-13(22)5-4-7-19(17,20)21/h2-3,6,8-10,13,17H,4-5,7,22H2,1H3,(H,24,26)
InChIKeyQBOVNVXXWVRLMT-UHFFFAOYSA-N
XLogP3.62
TPSA72.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-amino-2,2-difluorocyclohexyl)-4-imidazo[1,2-a]pyridin-3-yl-5-methylthiophene-2-carboxamide?
The IUPAC name of N-(6-amino-2,2-difluorocyclohexyl)-4-imidazo[1,2-a]pyridin-3-yl-5-methylthiophene-2-carboxamide (CID 46842486) is N-(6-amino-2,2-difluorocyclohexyl)-4-imidazo[1,2-a]pyridin-3-yl-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(6-amino-2,2-difluorocyclohexyl)-4-imidazo[1,2-a]pyridin-3-yl-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-(6-amino-2,2-difluorocyclohexyl)-4-imidazo[1,2-a]pyridin-3-yl-5-methylthiophene-2-carboxamide is Cc1sc(C(=O)NC2C(N)CCCC2(F)F)cc1-c1cnc2ccccn12.
What is the InChIKey of N-(6-amino-2,2-difluorocyclohexyl)-4-imidazo[1,2-a]pyridin-3-yl-5-methylthiophene-2-carboxamide?
The InChIKey is QBOVNVXXWVRLMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N4OS/c1-11-12(14-10-23-16-6-2-3-8-25(14)16)9-15(27-11)18(26)24-17-13(22)5-4-7-19(17,20)21/h2-3,6,8-10,13,17H,4-5,7,22H2,1H3,(H,24,26).
What are the key properties of N-(6-amino-2,2-difluorocyclohexyl)-4-imidazo[1,2-a]pyridin-3-yl-5-methylthiophene-2-carboxamide?
N-(6-amino-2,2-difluorocyclohexyl)-4-imidazo[1,2-a]pyridin-3-yl-5-methylthiophene-2-carboxamide has a molecular weight of 390.46 g/mol, XLogP of 3.62, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-2,2-difluorocyclohexyl)-4-imidazo[1,2-a]pyridin-3-yl-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 46842486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).