1-(2,2-difluoroethyl)-3-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)pyrazole-4-carboxamide

C14H17F2N5O — CID 136564938

IUPAC1-(2,2-difluoroethyl)-3-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)pyrazole-4-carboxamide
SMILESCc1nn(CC(F)F)cc1C(=O)NC1CCn2ccnc2C1
InChIInChI=1S/C14H17F2N5O/c1-9-11(7-21(19-9)8-12(15)16)14(22)18-10-2-4-20-5-3-17-13(20)6-10/h3,5,7,10,12H,2,4,6,8H2,1H3,(H,18,22)
InChIKeyGXLNKQHLKPIKKL-UHFFFAOYSA-N
MW309.32 g/mol
LogP1.40
Rot. Bonds4

About 1-(2,2-difluoroethyl)-3-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)pyrazole-4-carboxamide

1-(2,2-difluoroethyl)-3-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)pyrazole-4-carboxamide (PubChem CID 136564938) has the molecular formula C14H17F2N5O and a molecular weight of 309.32 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-3-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-3-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)pyrazole-4-carboxamide
PubChem CID136564938
Molecular FormulaC14H17F2N5O
Molecular Weight309.32 g/mol
Exact Mass309.14
IUPAC Name1-(2,2-difluoroethyl)-3-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)pyrazole-4-carboxamide
SMILESCc1nn(CC(F)F)cc1C(=O)NC1CCn2ccnc2C1
InChIInChI=1S/C14H17F2N5O/c1-9-11(7-21(19-9)8-12(15)16)14(22)18-10-2-4-20-5-3-17-13(20)6-10/h3,5,7,10,12H,2,4,6,8H2,1H3,(H,18,22)
InChIKeyGXLNKQHLKPIKKL-UHFFFAOYSA-N
XLogP1.40
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(7R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]acetamide
CID 175007001
N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)benzamide
CID 112532937
3-amino-N-cyclopropyl-1-(2,2-difluoroethyl)pyrazole-4-carboxamide
CID 146680555
4-ethoxy-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)benzamide
CID 112532976
4-chloro-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)benzamide
CID 112532941
6-(3,5-dimethylpyrazol-1-yl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)pyridine-3-carboxamide
CID 139009929
3-(dimethylsulfamoyl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)thiophene-2-carboxamide
CID 139009934
3-ethyl-1-methyl-N-[[(7R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]pyrazole-4-carboxamide
CID 129328348
3-methyl-1-propyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazole-4-carboxamide
CID 131908727
1-(1-cyclohexylpiperidin-4-yl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)urea
CID 127938799
4-amino-N-cyclohexyl-1-(2,2-difluoroethyl)pyrazole-3-carboxamide
CID 132586551
1-(2,2-difluoroethyl)-N-[[(2S,3R)-2-(1,5-dimethylpyrazol-4-yl)-1-methyl-5-oxopyrrolidin-3-yl]methyl]-3-methylpyrazole-4-carboxamide
CID 164640012

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-3-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)pyrazole-4-carboxamide?
The IUPAC name of 1-(2,2-difluoroethyl)-3-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)pyrazole-4-carboxamide (CID 136564938) is 1-(2,2-difluoroethyl)-3-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(2,2-difluoroethyl)-3-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(2,2-difluoroethyl)-3-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)pyrazole-4-carboxamide is Cc1nn(CC(F)F)cc1C(=O)NC1CCn2ccnc2C1.
What is the InChIKey of 1-(2,2-difluoroethyl)-3-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)pyrazole-4-carboxamide?
The InChIKey is GXLNKQHLKPIKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N5O/c1-9-11(7-21(19-9)8-12(15)16)14(22)18-10-2-4-20-5-3-17-13(20)6-10/h3,5,7,10,12H,2,4,6,8H2,1H3,(H,18,22).
What are the key properties of 1-(2,2-difluoroethyl)-3-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)pyrazole-4-carboxamide?
1-(2,2-difluoroethyl)-3-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)pyrazole-4-carboxamide has a molecular weight of 309.32 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-3-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 136564938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).