2-[(4-fluorophenyl)methyl]-6-[2-methyl-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide

C31H26FN5O2 — CID 90869134

IUPAC2-[(4-fluorophenyl)methyl]-6-[2-methyl-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1ccc(C(=O)NC2(c3ccccn3)CC2)cc1-c1ccc2nc(Cc3ccc(F)cc3)c(C(N)=O)n2c1
InChIInChI=1S/C31H26FN5O2/c1-19-5-8-21(30(39)36-31(13-14-31)26-4-2-3-15-34-26)17-24(19)22-9-12-27-35-25(28(29(33)38)37(27)18-22)16-20-6-10-23(32)11-7-20/h2-12,15,17-18H,13-14,16H2,1H3,(H2,33,38)(H,36,39)
InChIKeyVXENZFJXDKLVIG-UHFFFAOYSA-N
MW519.58 g/mol
LogP4.95
Rot. Bonds7

About 2-[(4-fluorophenyl)methyl]-6-[2-methyl-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide

2-[(4-fluorophenyl)methyl]-6-[2-methyl-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 90869134) has the molecular formula C31H26FN5O2 and a molecular weight of 519.58 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-6-[2-methyl-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-6-[2-methyl-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID90869134
Molecular FormulaC31H26FN5O2
Molecular Weight519.58 g/mol
Exact Mass519.21
IUPAC Name2-[(4-fluorophenyl)methyl]-6-[2-methyl-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1ccc(C(=O)NC2(c3ccccn3)CC2)cc1-c1ccc2nc(Cc3ccc(F)cc3)c(C(N)=O)n2c1
InChIInChI=1S/C31H26FN5O2/c1-19-5-8-21(30(39)36-31(13-14-31)26-4-2-3-15-34-26)17-24(19)22-9-12-27-35-25(28(29(33)38)37(27)18-22)16-20-6-10-23(32)11-7-20/h2-12,15,17-18H,13-14,16H2,1H3,(H2,33,38)(H,36,39)
InChIKeyVXENZFJXDKLVIG-UHFFFAOYSA-N
XLogP4.95
TPSA102.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.58
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-6-[2-methyl-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-6-[2-methyl-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 90869134) is 2-[(4-fluorophenyl)methyl]-6-[2-methyl-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-6-[2-methyl-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-6-[2-methyl-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide is Cc1ccc(C(=O)NC2(c3ccccn3)CC2)cc1-c1ccc2nc(Cc3ccc(F)cc3)c(C(N)=O)n2c1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-6-[2-methyl-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is VXENZFJXDKLVIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26FN5O2/c1-19-5-8-21(30(39)36-31(13-14-31)26-4-2-3-15-34-26)17-24(19)22-9-12-27-35-25(28(29(33)38)37(27)18-22)16-20-6-10-23(32)11-7-20/h2-12,15,17-18H,13-14,16H2,1H3,(H2,33,38)(H,36,39).
What are the key properties of 2-[(4-fluorophenyl)methyl]-6-[2-methyl-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide?
2-[(4-fluorophenyl)methyl]-6-[2-methyl-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 519.58 g/mol, XLogP of 4.95, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-6-[2-methyl-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 90869134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).