2-benzhydryl-3-ethyl-N-(1-ethylpyrazol-4-yl)-7-fluoroimidazo[1,2-a]pyridine-6-carboxamide

C28H26FN5O — CID 170130662

IUPAC2-benzhydryl-3-ethyl-N-(1-ethylpyrazol-4-yl)-7-fluoroimidazo[1,2-a]pyridine-6-carboxamide
SMILESCCc1c(C(c2ccccc2)c2ccccc2)nc2cc(F)c(C(=O)Nc3cnn(CC)c3)cn12
InChIInChI=1S/C28H26FN5O/c1-3-24-27(26(19-11-7-5-8-12-19)20-13-9-6-10-14-20)32-25-15-23(29)22(18-34(24)25)28(35)31-21-16-30-33(4-2)17-21/h5-18,26H,3-4H2,1-2H3,(H,31,35)
InChIKeyMSVJNBOAFQWTTQ-UHFFFAOYSA-N
MW467.55 g/mol
LogP5.68
Rot. Bonds7

About 2-benzhydryl-3-ethyl-N-(1-ethylpyrazol-4-yl)-7-fluoroimidazo[1,2-a]pyridine-6-carboxamide

2-benzhydryl-3-ethyl-N-(1-ethylpyrazol-4-yl)-7-fluoroimidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 170130662) has the molecular formula C28H26FN5O and a molecular weight of 467.55 g/mol. Its IUPAC name is 2-benzhydryl-3-ethyl-N-(1-ethylpyrazol-4-yl)-7-fluoroimidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name2-benzhydryl-3-ethyl-N-(1-ethylpyrazol-4-yl)-7-fluoroimidazo[1,2-a]pyridine-6-carboxamide
PubChem CID170130662
Molecular FormulaC28H26FN5O
Molecular Weight467.55 g/mol
Exact Mass467.21
IUPAC Name2-benzhydryl-3-ethyl-N-(1-ethylpyrazol-4-yl)-7-fluoroimidazo[1,2-a]pyridine-6-carboxamide
SMILESCCc1c(C(c2ccccc2)c2ccccc2)nc2cc(F)c(C(=O)Nc3cnn(CC)c3)cn12
InChIInChI=1S/C28H26FN5O/c1-3-24-27(26(19-11-7-5-8-12-19)20-13-9-6-10-14-20)32-25-15-23(29)22(18-34(24)25)28(35)31-21-16-30-33(4-2)17-21/h5-18,26H,3-4H2,1-2H3,(H,31,35)
InChIKeyMSVJNBOAFQWTTQ-UHFFFAOYSA-N
XLogP5.68
TPSA64.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.55
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethyl-N-(1-ethylpyrazol-4-yl)-2-[hydroxy(diphenyl)methyl]-7-methoxyimidazo[1,2-a]pyridine-6-carboxamide
CID 168678814
N-(1-ethylpyrazol-4-yl)-2-methylbenzamide
CID 51078638
2-amino-N-(1-ethylpyrazol-4-yl)-2-phenylacetamide
CID 43543649
1-ethyl-N-(1-ethylpyrazol-4-yl)-5-fluoro-2-[(2-fluorophenyl)-(2-phosphanylphenyl)methyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 170131711
5-chloro-1-ethyl-N-(1-ethylpyrazol-4-yl)-2-[(2-fluorophenyl)-(2-methylphenyl)methyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 170131209
2-bromo-N-(1-ethylpyrazol-4-yl)-5-methylbenzamide
CID 80979734
N-(1-benzylpyrazol-4-yl)-1-ethylpyrazole-4-carboxamide
CID 19395795
N'-(1-ethylpyrazol-4-yl)-N-(3-propan-2-ylphenyl)oxamide
CID 60551908
2-chloro-N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]benzamide
CID 19340031
N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-fluoro-4-hydroxybenzamide
CID 86783234
1-ethyl-N-[1-(2-fluorophenyl)pyrazol-4-yl]pyrazole-4-carboxamide
CID 71921815
2-[(1-ethylpyrazol-4-yl)amino]benzoic acid
CID 62231031

Frequently Asked Questions

What is the IUPAC name of 2-benzhydryl-3-ethyl-N-(1-ethylpyrazol-4-yl)-7-fluoroimidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of 2-benzhydryl-3-ethyl-N-(1-ethylpyrazol-4-yl)-7-fluoroimidazo[1,2-a]pyridine-6-carboxamide (CID 170130662) is 2-benzhydryl-3-ethyl-N-(1-ethylpyrazol-4-yl)-7-fluoroimidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for 2-benzhydryl-3-ethyl-N-(1-ethylpyrazol-4-yl)-7-fluoroimidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for 2-benzhydryl-3-ethyl-N-(1-ethylpyrazol-4-yl)-7-fluoroimidazo[1,2-a]pyridine-6-carboxamide is CCc1c(C(c2ccccc2)c2ccccc2)nc2cc(F)c(C(=O)Nc3cnn(CC)c3)cn12.
What is the InChIKey of 2-benzhydryl-3-ethyl-N-(1-ethylpyrazol-4-yl)-7-fluoroimidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is MSVJNBOAFQWTTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26FN5O/c1-3-24-27(26(19-11-7-5-8-12-19)20-13-9-6-10-14-20)32-25-15-23(29)22(18-34(24)25)28(35)31-21-16-30-33(4-2)17-21/h5-18,26H,3-4H2,1-2H3,(H,31,35).
What are the key properties of 2-benzhydryl-3-ethyl-N-(1-ethylpyrazol-4-yl)-7-fluoroimidazo[1,2-a]pyridine-6-carboxamide?
2-benzhydryl-3-ethyl-N-(1-ethylpyrazol-4-yl)-7-fluoroimidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 467.55 g/mol, XLogP of 5.68, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzhydryl-3-ethyl-N-(1-ethylpyrazol-4-yl)-7-fluoroimidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 170130662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).