6-chloro-3-fluoro-N-[(2R)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]imidazo[1,2-a]pyridine-2-carboxamide

C17H19ClFN5O — CID 99938199

IUPAC6-chloro-3-fluoro-N-[(2R)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESCC(C)(C)[C@H](Cn1ccnc1)NC(=O)c1nc2ccc(Cl)cn2c1F
InChIInChI=1S/C17H19ClFN5O/c1-17(2,3)12(9-23-7-6-20-10-23)21-16(25)14-15(19)24-8-11(18)4-5-13(24)22-14/h4-8,10,12H,9H2,1-3H3,(H,21,25)/t12-/m0/s1
InChIKeyHINYDVHFGFBWPG-LBPRGKRZSA-N
MW363.82 g/mol
LogP3.17
Rot. Bonds4

About 6-chloro-3-fluoro-N-[(2R)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]imidazo[1,2-a]pyridine-2-carboxamide

6-chloro-3-fluoro-N-[(2R)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 99938199) has the molecular formula C17H19ClFN5O and a molecular weight of 363.82 g/mol. Its IUPAC name is 6-chloro-3-fluoro-N-[(2R)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-3-fluoro-N-[(2R)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]imidazo[1,2-a]pyridine-2-carboxamide
PubChem CID99938199
Molecular FormulaC17H19ClFN5O
Molecular Weight363.82 g/mol
Exact Mass363.13
IUPAC Name6-chloro-3-fluoro-N-[(2R)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESCC(C)(C)[C@H](Cn1ccnc1)NC(=O)c1nc2ccc(Cl)cn2c1F
InChIInChI=1S/C17H19ClFN5O/c1-17(2,3)12(9-23-7-6-20-10-23)21-16(25)14-15(19)24-8-11(18)4-5-13(24)22-14/h4-8,10,12H,9H2,1-3H3,(H,21,25)/t12-/m0/s1
InChIKeyHINYDVHFGFBWPG-LBPRGKRZSA-N
XLogP3.17
TPSA64.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.82
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-3-fluoro-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)benzamide
CID 131909336
3-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1-N-methylbenzene-1,3-dicarboxamide
CID 75373604
1-[(2S)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]-3-(4-methoxyphenyl)urea
CID 93233544
2-amino-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1,3-thiazole-4-carboxamide
CID 62786820
N-[(2S)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]-4-(methoxymethyl)benzamide
CID 95050216
1-(4-acetylphenyl)-3-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)urea
CID 72941380
tert-butyl N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)carbamate
CID 65142849
N-[(2,6-difluoro-3-methylphenyl)methyl]-1-imidazol-1-yl-3,3-dimethylbutan-2-amine;formic acid
CID 154912364
N-[(2S)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]-3-(4-methoxyphenyl)-1,2-oxazole-5-carboxamide
CID 92613561
4,5-dibromo-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)thiophene-2-carboxamide
CID 78975141
N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-2-methyl-1,3-benzothiazole-6-carboxamide
CID 77083723
2-amino-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-3-methylbutanamide
CID 43695409

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-fluoro-N-[(2R)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]imidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of 6-chloro-3-fluoro-N-[(2R)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]imidazo[1,2-a]pyridine-2-carboxamide (CID 99938199) is 6-chloro-3-fluoro-N-[(2R)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]imidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for 6-chloro-3-fluoro-N-[(2R)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]imidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for 6-chloro-3-fluoro-N-[(2R)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]imidazo[1,2-a]pyridine-2-carboxamide is CC(C)(C)[C@H](Cn1ccnc1)NC(=O)c1nc2ccc(Cl)cn2c1F.
What is the InChIKey of 6-chloro-3-fluoro-N-[(2R)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]imidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is HINYDVHFGFBWPG-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H19ClFN5O/c1-17(2,3)12(9-23-7-6-20-10-23)21-16(25)14-15(19)24-8-11(18)4-5-13(24)22-14/h4-8,10,12H,9H2,1-3H3,(H,21,25)/t12-/m0/s1.
What are the key properties of 6-chloro-3-fluoro-N-[(2R)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]imidazo[1,2-a]pyridine-2-carboxamide?
6-chloro-3-fluoro-N-[(2R)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 363.82 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-fluoro-N-[(2R)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 99938199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).