2-(4-fluorophenyl)-N-[(2S)-1-pyrazin-2-ylpropan-2-yl]imidazo[1,2-a]pyridine-6-carboxamide

C21H18FN5O — CID 97192955

IUPAC2-(4-fluorophenyl)-N-[(2S)-1-pyrazin-2-ylpropan-2-yl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESC[C@@H](Cc1cnccn1)NC(=O)c1ccc2nc(-c3ccc(F)cc3)cn2c1
InChIInChI=1S/C21H18FN5O/c1-14(10-18-11-23-8-9-24-18)25-21(28)16-4-7-20-26-19(13-27(20)12-16)15-2-5-17(22)6-3-15/h2-9,11-14H,10H2,1H3,(H,25,28)/t14-/m0/s1
InChIKeyXRZBQPNJJBMCKB-AWEZNQCLSA-N
MW375.41 g/mol
LogP3.29
Rot. Bonds5

About 2-(4-fluorophenyl)-N-[(2S)-1-pyrazin-2-ylpropan-2-yl]imidazo[1,2-a]pyridine-6-carboxamide

2-(4-fluorophenyl)-N-[(2S)-1-pyrazin-2-ylpropan-2-yl]imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 97192955) has the molecular formula C21H18FN5O and a molecular weight of 375.41 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[(2S)-1-pyrazin-2-ylpropan-2-yl]imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[(2S)-1-pyrazin-2-ylpropan-2-yl]imidazo[1,2-a]pyridine-6-carboxamide
PubChem CID97192955
Molecular FormulaC21H18FN5O
Molecular Weight375.41 g/mol
Exact Mass375.15
IUPAC Name2-(4-fluorophenyl)-N-[(2S)-1-pyrazin-2-ylpropan-2-yl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESC[C@@H](Cc1cnccn1)NC(=O)c1ccc2nc(-c3ccc(F)cc3)cn2c1
InChIInChI=1S/C21H18FN5O/c1-14(10-18-11-23-8-9-24-18)25-21(28)16-4-7-20-26-19(13-27(20)12-16)15-2-5-17(22)6-3-15/h2-9,11-14H,10H2,1H3,(H,25,28)/t14-/m0/s1
InChIKeyXRZBQPNJJBMCKB-AWEZNQCLSA-N
XLogP3.29
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.41
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[(2S)-1-pyrazin-2-ylpropan-2-yl]imidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[(2S)-1-pyrazin-2-ylpropan-2-yl]imidazo[1,2-a]pyridine-6-carboxamide (CID 97192955) is 2-(4-fluorophenyl)-N-[(2S)-1-pyrazin-2-ylpropan-2-yl]imidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[(2S)-1-pyrazin-2-ylpropan-2-yl]imidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[(2S)-1-pyrazin-2-ylpropan-2-yl]imidazo[1,2-a]pyridine-6-carboxamide is C[C@@H](Cc1cnccn1)NC(=O)c1ccc2nc(-c3ccc(F)cc3)cn2c1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[(2S)-1-pyrazin-2-ylpropan-2-yl]imidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is XRZBQPNJJBMCKB-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H18FN5O/c1-14(10-18-11-23-8-9-24-18)25-21(28)16-4-7-20-26-19(13-27(20)12-16)15-2-5-17(22)6-3-15/h2-9,11-14H,10H2,1H3,(H,25,28)/t14-/m0/s1.
What are the key properties of 2-(4-fluorophenyl)-N-[(2S)-1-pyrazin-2-ylpropan-2-yl]imidazo[1,2-a]pyridine-6-carboxamide?
2-(4-fluorophenyl)-N-[(2S)-1-pyrazin-2-ylpropan-2-yl]imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 375.41 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[(2S)-1-pyrazin-2-ylpropan-2-yl]imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 97192955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).