N-[1-(2,2-difluoroethyl)indazol-3-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxamide

C17H17F2N5O — CID 138012753

IUPACN-[1-(2,2-difluoroethyl)indazol-3-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxamide
SMILESO=C(Nc1nn(CC(F)F)c2ccccc12)C1CCc2nccn2C1
InChIInChI=1S/C17H17F2N5O/c18-14(19)10-24-13-4-2-1-3-12(13)16(22-24)21-17(25)11-5-6-15-20-7-8-23(15)9-11/h1-4,7-8,11,14H,5-6,9-10H2,(H,21,22,25)
InChIKeyKGSJXQJIZKDLNI-UHFFFAOYSA-N
MW345.35 g/mol
LogP2.70
Rot. Bonds4

About N-[1-(2,2-difluoroethyl)indazol-3-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxamide

N-[1-(2,2-difluoroethyl)indazol-3-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 138012753) has the molecular formula C17H17F2N5O and a molecular weight of 345.35 g/mol. Its IUPAC name is N-[1-(2,2-difluoroethyl)indazol-3-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[1-(2,2-difluoroethyl)indazol-3-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxamide
PubChem CID138012753
Molecular FormulaC17H17F2N5O
Molecular Weight345.35 g/mol
Exact Mass345.14
IUPAC NameN-[1-(2,2-difluoroethyl)indazol-3-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxamide
SMILESO=C(Nc1nn(CC(F)F)c2ccccc12)C1CCc2nccn2C1
InChIInChI=1S/C17H17F2N5O/c18-14(19)10-24-13-4-2-1-3-12(13)16(22-24)21-17(25)11-5-6-15-20-7-8-23(15)9-11/h1-4,7-8,11,14H,5-6,9-10H2,(H,21,22,25)
InChIKeyKGSJXQJIZKDLNI-UHFFFAOYSA-N
XLogP2.70
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-(2,2-difluoroethyl)indazol-3-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxamide with MolForge

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Related Compounds

cis-(1S,2R)-1-N-[1-(2,2-difluoroethyl)indazol-3-yl]cyclopropane-1,2-dicarboxamide
CID 154807967
2-cyclopropyl-N-[1-(2,2-difluoroethyl)indazol-3-yl]-1,3-oxazole-5-carboxamide
CID 136573178
N-[1-(2,2-difluoroethyl)indazol-3-yl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-3-carboxamide
CID 139018596
2-(4-methyl-1-oxophthalazin-2-yl)-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide
CID 95138432
1-[1-(2,2-difluoroethyl)indazol-3-yl]-2-methylpropan-1-one
CID 118442196
N-[(3-chloro-2-fluorophenyl)methyl]-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)methanamine
CID 128992936
(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]propanamide
CID 96516852
N-[(2-chloro-6-fluorophenyl)methyl]-1-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine
CID 129474044
(1R)-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-2,3-dihydro-1H-indene-1-carboxamide
CID 95761037
[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)methanone
CID 166649767
N-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 129329563
N-[1-(cyclopropylmethyl)indazol-3-yl]-2-(3-fluorophenyl)acetamide
CID 155916035

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,2-difluoroethyl)indazol-3-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of N-[1-(2,2-difluoroethyl)indazol-3-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxamide (CID 138012753) is N-[1-(2,2-difluoroethyl)indazol-3-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for N-[1-(2,2-difluoroethyl)indazol-3-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for N-[1-(2,2-difluoroethyl)indazol-3-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxamide is O=C(Nc1nn(CC(F)F)c2ccccc12)C1CCc2nccn2C1.
What is the InChIKey of N-[1-(2,2-difluoroethyl)indazol-3-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is KGSJXQJIZKDLNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N5O/c18-14(19)10-24-13-4-2-1-3-12(13)16(22-24)21-17(25)11-5-6-15-20-7-8-23(15)9-11/h1-4,7-8,11,14H,5-6,9-10H2,(H,21,22,25).
What are the key properties of N-[1-(2,2-difluoroethyl)indazol-3-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxamide?
N-[1-(2,2-difluoroethyl)indazol-3-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 345.35 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,2-difluoroethyl)indazol-3-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 138012753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).