6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]-1,2,3,8a-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide

C27H33FN6O — CID 167216673

IUPAC6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]-1,2,3,8a-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide
SMILESCc1cc(-c2ncccc2C2=CN3C(C=C2)CNC3C(=O)NCCN2CCN(C)CC2)ccc1F
InChIInChI=1S/C27H33FN6O/c1-19-16-20(6-8-24(19)28)25-23(4-3-9-29-25)21-5-7-22-17-31-26(34(22)18-21)27(35)30-10-11-33-14-12-32(2)13-15-33/h3-9,16,18,22,26,31H,10-15,17H2,1-2H3,(H,30,35)
InChIKeyFLLKPSUVHLNHLH-UHFFFAOYSA-N
MW476.60 g/mol
LogP2.07
Rot. Bonds6

About 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]-1,2,3,8a-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide

6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]-1,2,3,8a-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide (PubChem CID 167216673) has the molecular formula C27H33FN6O and a molecular weight of 476.60 g/mol. Its IUPAC name is 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]-1,2,3,8a-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]-1,2,3,8a-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide
PubChem CID167216673
Molecular FormulaC27H33FN6O
Molecular Weight476.60 g/mol
Exact Mass476.27
IUPAC Name6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]-1,2,3,8a-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide
SMILESCc1cc(-c2ncccc2C2=CN3C(C=C2)CNC3C(=O)NCCN2CCN(C)CC2)ccc1F
InChIInChI=1S/C27H33FN6O/c1-19-16-20(6-8-24(19)28)25-23(4-3-9-29-25)21-5-7-22-17-31-26(34(22)18-21)27(35)30-10-11-33-14-12-32(2)13-15-33/h3-9,16,18,22,26,31H,10-15,17H2,1-2H3,(H,30,35)
InChIKeyFLLKPSUVHLNHLH-UHFFFAOYSA-N
XLogP2.07
TPSA63.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.60
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]-1,2,3,8a-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]-1,2,3,8a-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]-1,2,3,8a-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide (CID 167216673) is 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]-1,2,3,8a-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]-1,2,3,8a-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]-1,2,3,8a-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide is Cc1cc(-c2ncccc2C2=CN3C(C=C2)CNC3C(=O)NCCN2CCN(C)CC2)ccc1F.
What is the InChIKey of 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]-1,2,3,8a-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide?
The InChIKey is FLLKPSUVHLNHLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33FN6O/c1-19-16-20(6-8-24(19)28)25-23(4-3-9-29-25)21-5-7-22-17-31-26(34(22)18-21)27(35)30-10-11-33-14-12-32(2)13-15-33/h3-9,16,18,22,26,31H,10-15,17H2,1-2H3,(H,30,35).
What are the key properties of 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]-1,2,3,8a-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide?
6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]-1,2,3,8a-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide has a molecular weight of 476.60 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]-1,2,3,8a-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 167216673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).