N-[1-[1-(4-fluorophenyl)imidazo[1,5-a]pyridin-6-yl]-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide

C27H23FN4O2 — CID 155413967

IUPACN-[1-[1-(4-fluorophenyl)imidazo[1,5-a]pyridin-6-yl]-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide
SMILESO=C(NC1CC(=O)N(c2ccc3c(-c4ccc(F)cc4)ncn3c2)C1c1ccccc1)C1CC1
InChIInChI=1S/C27H23FN4O2/c28-20-10-8-17(9-11-20)25-23-13-12-21(15-31(23)16-29-25)32-24(33)14-22(30-27(34)19-6-7-19)26(32)18-4-2-1-3-5-18/h1-5,8-13,15-16,19,22,26H,6-7,14H2,(H,30,34)
InChIKeyDOISGYOMJGVAKG-UHFFFAOYSA-N
MW454.51 g/mol
LogP4.51
Rot. Bonds5

About N-[1-[1-(4-fluorophenyl)imidazo[1,5-a]pyridin-6-yl]-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide

N-[1-[1-(4-fluorophenyl)imidazo[1,5-a]pyridin-6-yl]-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide (PubChem CID 155413967) has the molecular formula C27H23FN4O2 and a molecular weight of 454.51 g/mol. Its IUPAC name is N-[1-[1-(4-fluorophenyl)imidazo[1,5-a]pyridin-6-yl]-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-[1-(4-fluorophenyl)imidazo[1,5-a]pyridin-6-yl]-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide
PubChem CID155413967
Molecular FormulaC27H23FN4O2
Molecular Weight454.51 g/mol
Exact Mass454.18
IUPAC NameN-[1-[1-(4-fluorophenyl)imidazo[1,5-a]pyridin-6-yl]-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide
SMILESO=C(NC1CC(=O)N(c2ccc3c(-c4ccc(F)cc4)ncn3c2)C1c1ccccc1)C1CC1
InChIInChI=1S/C27H23FN4O2/c28-20-10-8-17(9-11-20)25-23-13-12-21(15-31(23)16-29-25)32-24(33)14-22(30-27(34)19-6-7-19)26(32)18-4-2-1-3-5-18/h1-5,8-13,15-16,19,22,26H,6-7,14H2,(H,30,34)
InChIKeyDOISGYOMJGVAKG-UHFFFAOYSA-N
XLogP4.51
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.51
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(4-fluorophenyl)imidazo[1,5-a]pyridin-6-yl]-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[1-[1-(4-fluorophenyl)imidazo[1,5-a]pyridin-6-yl]-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide (CID 155413967) is N-[1-[1-(4-fluorophenyl)imidazo[1,5-a]pyridin-6-yl]-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[1-[1-(4-fluorophenyl)imidazo[1,5-a]pyridin-6-yl]-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[1-[1-(4-fluorophenyl)imidazo[1,5-a]pyridin-6-yl]-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide is O=C(NC1CC(=O)N(c2ccc3c(-c4ccc(F)cc4)ncn3c2)C1c1ccccc1)C1CC1.
What is the InChIKey of N-[1-[1-(4-fluorophenyl)imidazo[1,5-a]pyridin-6-yl]-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide?
The InChIKey is DOISGYOMJGVAKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23FN4O2/c28-20-10-8-17(9-11-20)25-23-13-12-21(15-31(23)16-29-25)32-24(33)14-22(30-27(34)19-6-7-19)26(32)18-4-2-1-3-5-18/h1-5,8-13,15-16,19,22,26H,6-7,14H2,(H,30,34).
What are the key properties of N-[1-[1-(4-fluorophenyl)imidazo[1,5-a]pyridin-6-yl]-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide?
N-[1-[1-(4-fluorophenyl)imidazo[1,5-a]pyridin-6-yl]-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide has a molecular weight of 454.51 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(4-fluorophenyl)imidazo[1,5-a]pyridin-6-yl]-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 155413967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).