3-(1H-indol-3-yl)propyl 7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridine-3-carboxylate

C31H25FN4O2 — CID 126758949

IUPAC3-(1H-indol-3-yl)propyl 7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridine-3-carboxylate
SMILESCc1cc(-c2ncccc2-c2ccn3c(C(=O)OCCCc4c[nH]c5ccccc45)ncc3c2)ccc1F
InChIInChI=1S/C31H25FN4O2/c1-20-16-22(10-11-27(20)32)29-26(8-4-13-33-29)21-12-14-36-24(17-21)19-35-30(36)31(37)38-15-5-6-23-18-34-28-9-3-2-7-25(23)28/h2-4,7-14,16-19,34H,5-6,15H2,1H3
InChIKeyFRFZFXSTSFXMSV-UHFFFAOYSA-N
MW504.57 g/mol
LogP6.78
Rot. Bonds7

About 3-(1H-indol-3-yl)propyl 7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridine-3-carboxylate

3-(1H-indol-3-yl)propyl 7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridine-3-carboxylate (PubChem CID 126758949) has the molecular formula C31H25FN4O2 and a molecular weight of 504.57 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)propyl 7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridine-3-carboxylate.

Molecular Properties

Compound Name3-(1H-indol-3-yl)propyl 7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridine-3-carboxylate
PubChem CID126758949
Molecular FormulaC31H25FN4O2
Molecular Weight504.57 g/mol
Exact Mass504.20
IUPAC Name3-(1H-indol-3-yl)propyl 7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridine-3-carboxylate
SMILESCc1cc(-c2ncccc2-c2ccn3c(C(=O)OCCCc4c[nH]c5ccccc45)ncc3c2)ccc1F
InChIInChI=1S/C31H25FN4O2/c1-20-16-22(10-11-27(20)32)29-26(8-4-13-33-29)21-12-14-36-24(17-21)19-35-30(36)31(37)38-15-5-6-23-18-34-28-9-3-2-7-25(23)28/h2-4,7-14,16-19,34H,5-6,15H2,1H3
InChIKeyFRFZFXSTSFXMSV-UHFFFAOYSA-N
XLogP6.78
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.57
LogP ≤ 56.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)propyl 7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridine-3-carboxylate?
The IUPAC name of 3-(1H-indol-3-yl)propyl 7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridine-3-carboxylate (CID 126758949) is 3-(1H-indol-3-yl)propyl 7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridine-3-carboxylate.
What is the SMILES notation for 3-(1H-indol-3-yl)propyl 7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridine-3-carboxylate?
The canonical SMILES for 3-(1H-indol-3-yl)propyl 7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridine-3-carboxylate is Cc1cc(-c2ncccc2-c2ccn3c(C(=O)OCCCc4c[nH]c5ccccc45)ncc3c2)ccc1F.
What is the InChIKey of 3-(1H-indol-3-yl)propyl 7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridine-3-carboxylate?
The InChIKey is FRFZFXSTSFXMSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25FN4O2/c1-20-16-22(10-11-27(20)32)29-26(8-4-13-33-29)21-12-14-36-24(17-21)19-35-30(36)31(37)38-15-5-6-23-18-34-28-9-3-2-7-25(23)28/h2-4,7-14,16-19,34H,5-6,15H2,1H3.
What are the key properties of 3-(1H-indol-3-yl)propyl 7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridine-3-carboxylate?
3-(1H-indol-3-yl)propyl 7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridine-3-carboxylate has a molecular weight of 504.57 g/mol, XLogP of 6.78, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)propyl 7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridine-3-carboxylate is sourced from PubChem (CID 126758949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).