3-ethyl-N-(1-ethylpyrazol-4-yl)-7-fluoro-2-[hydroxy(diphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide

C28H26FN5O2 — CID 168678809

IUPAC3-ethyl-N-(1-ethylpyrazol-4-yl)-7-fluoro-2-[hydroxy(diphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESCCc1c(C(O)(c2ccccc2)c2ccccc2)nc2cc(F)c(C(=O)Nc3cnn(CC)c3)cn12
InChIInChI=1S/C28H26FN5O2/c1-3-24-26(28(36,19-11-7-5-8-12-19)20-13-9-6-10-14-20)32-25-15-23(29)22(18-34(24)25)27(35)31-21-16-30-33(4-2)17-21/h5-18,36H,3-4H2,1-2H3,(H,31,35)
InChIKeyFMTLDXOVWLDJKG-UHFFFAOYSA-N
MW483.55 g/mol
LogP4.79
Rot. Bonds7

About 3-ethyl-N-(1-ethylpyrazol-4-yl)-7-fluoro-2-[hydroxy(diphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide

3-ethyl-N-(1-ethylpyrazol-4-yl)-7-fluoro-2-[hydroxy(diphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 168678809) has the molecular formula C28H26FN5O2 and a molecular weight of 483.55 g/mol. Its IUPAC name is 3-ethyl-N-(1-ethylpyrazol-4-yl)-7-fluoro-2-[hydroxy(diphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-(1-ethylpyrazol-4-yl)-7-fluoro-2-[hydroxy(diphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide
PubChem CID168678809
Molecular FormulaC28H26FN5O2
Molecular Weight483.55 g/mol
Exact Mass483.21
IUPAC Name3-ethyl-N-(1-ethylpyrazol-4-yl)-7-fluoro-2-[hydroxy(diphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESCCc1c(C(O)(c2ccccc2)c2ccccc2)nc2cc(F)c(C(=O)Nc3cnn(CC)c3)cn12
InChIInChI=1S/C28H26FN5O2/c1-3-24-26(28(36,19-11-7-5-8-12-19)20-13-9-6-10-14-20)32-25-15-23(29)22(18-34(24)25)27(35)31-21-16-30-33(4-2)17-21/h5-18,36H,3-4H2,1-2H3,(H,31,35)
InChIKeyFMTLDXOVWLDJKG-UHFFFAOYSA-N
XLogP4.79
TPSA84.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.55
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(1-ethylpyrazol-4-yl)-7-fluoro-2-[hydroxy(diphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of 3-ethyl-N-(1-ethylpyrazol-4-yl)-7-fluoro-2-[hydroxy(diphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide (CID 168678809) is 3-ethyl-N-(1-ethylpyrazol-4-yl)-7-fluoro-2-[hydroxy(diphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for 3-ethyl-N-(1-ethylpyrazol-4-yl)-7-fluoro-2-[hydroxy(diphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for 3-ethyl-N-(1-ethylpyrazol-4-yl)-7-fluoro-2-[hydroxy(diphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide is CCc1c(C(O)(c2ccccc2)c2ccccc2)nc2cc(F)c(C(=O)Nc3cnn(CC)c3)cn12.
What is the InChIKey of 3-ethyl-N-(1-ethylpyrazol-4-yl)-7-fluoro-2-[hydroxy(diphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is FMTLDXOVWLDJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26FN5O2/c1-3-24-26(28(36,19-11-7-5-8-12-19)20-13-9-6-10-14-20)32-25-15-23(29)22(18-34(24)25)27(35)31-21-16-30-33(4-2)17-21/h5-18,36H,3-4H2,1-2H3,(H,31,35).
What are the key properties of 3-ethyl-N-(1-ethylpyrazol-4-yl)-7-fluoro-2-[hydroxy(diphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide?
3-ethyl-N-(1-ethylpyrazol-4-yl)-7-fluoro-2-[hydroxy(diphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 483.55 g/mol, XLogP of 4.79, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(1-ethylpyrazol-4-yl)-7-fluoro-2-[hydroxy(diphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 168678809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).