3-(2-fluorophenyl)-N-isoquinolin-5-yl-2,3-dihydroimidazo[1,5-a]pyridine-1-carboxamide

C23H17FN4O — CID 91050593

IUPAC3-(2-fluorophenyl)-N-isoquinolin-5-yl-2,3-dihydroimidazo[1,5-a]pyridine-1-carboxamide
SMILESO=C(Nc1cccc2cnccc12)C1=C2C=CC=CN2C(c2ccccc2F)N1
InChIInChI=1S/C23H17FN4O/c24-18-8-2-1-7-17(18)22-27-21(20-10-3-4-13-28(20)22)23(29)26-19-9-5-6-15-14-25-12-11-16(15)19/h1-14,22,27H,(H,26,29)
InChIKeyHCGZCXYSDUGIAL-UHFFFAOYSA-N
MW384.41 g/mol
LogP4.21
Rot. Bonds3

About 3-(2-fluorophenyl)-N-isoquinolin-5-yl-2,3-dihydroimidazo[1,5-a]pyridine-1-carboxamide

3-(2-fluorophenyl)-N-isoquinolin-5-yl-2,3-dihydroimidazo[1,5-a]pyridine-1-carboxamide (PubChem CID 91050593) has the molecular formula C23H17FN4O and a molecular weight of 384.41 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-N-isoquinolin-5-yl-2,3-dihydroimidazo[1,5-a]pyridine-1-carboxamide.

Molecular Properties

Compound Name3-(2-fluorophenyl)-N-isoquinolin-5-yl-2,3-dihydroimidazo[1,5-a]pyridine-1-carboxamide
PubChem CID91050593
Molecular FormulaC23H17FN4O
Molecular Weight384.41 g/mol
Exact Mass384.14
IUPAC Name3-(2-fluorophenyl)-N-isoquinolin-5-yl-2,3-dihydroimidazo[1,5-a]pyridine-1-carboxamide
SMILESO=C(Nc1cccc2cnccc12)C1=C2C=CC=CN2C(c2ccccc2F)N1
InChIInChI=1S/C23H17FN4O/c24-18-8-2-1-7-17(18)22-27-21(20-10-3-4-13-28(20)22)23(29)26-19-9-5-6-15-14-25-12-11-16(15)19/h1-14,22,27H,(H,26,29)
InChIKeyHCGZCXYSDUGIAL-UHFFFAOYSA-N
XLogP4.21
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-N-isoquinolin-5-yl-2,3-dihydroimidazo[1,5-a]pyridine-1-carboxamide?
The IUPAC name of 3-(2-fluorophenyl)-N-isoquinolin-5-yl-2,3-dihydroimidazo[1,5-a]pyridine-1-carboxamide (CID 91050593) is 3-(2-fluorophenyl)-N-isoquinolin-5-yl-2,3-dihydroimidazo[1,5-a]pyridine-1-carboxamide.
What is the SMILES notation for 3-(2-fluorophenyl)-N-isoquinolin-5-yl-2,3-dihydroimidazo[1,5-a]pyridine-1-carboxamide?
The canonical SMILES for 3-(2-fluorophenyl)-N-isoquinolin-5-yl-2,3-dihydroimidazo[1,5-a]pyridine-1-carboxamide is O=C(Nc1cccc2cnccc12)C1=C2C=CC=CN2C(c2ccccc2F)N1.
What is the InChIKey of 3-(2-fluorophenyl)-N-isoquinolin-5-yl-2,3-dihydroimidazo[1,5-a]pyridine-1-carboxamide?
The InChIKey is HCGZCXYSDUGIAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN4O/c24-18-8-2-1-7-17(18)22-27-21(20-10-3-4-13-28(20)22)23(29)26-19-9-5-6-15-14-25-12-11-16(15)19/h1-14,22,27H,(H,26,29).
What are the key properties of 3-(2-fluorophenyl)-N-isoquinolin-5-yl-2,3-dihydroimidazo[1,5-a]pyridine-1-carboxamide?
3-(2-fluorophenyl)-N-isoquinolin-5-yl-2,3-dihydroimidazo[1,5-a]pyridine-1-carboxamide has a molecular weight of 384.41 g/mol, XLogP of 4.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-N-isoquinolin-5-yl-2,3-dihydroimidazo[1,5-a]pyridine-1-carboxamide is sourced from PubChem (CID 91050593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).