3-N-cyclopropyl-1-N-(2,6-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide

C18H18F2N4O2 — CID 109073023

IUPAC3-N-cyclopropyl-1-N-(2,6-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESO=C(Nc1c(F)cccc1F)c1nc(C(=O)NC2CC2)n2c1CCCC2
InChIInChI=1S/C18H18F2N4O2/c19-11-4-3-5-12(20)14(11)23-17(25)15-13-6-1-2-9-24(13)16(22-15)18(26)21-10-7-8-10/h3-5,10H,1-2,6-9H2,(H,21,26)(H,23,25)
InChIKeyCDEVCVHZZUWQRN-UHFFFAOYSA-N
MW360.36 g/mol
LogP2.64
Rot. Bonds4

About 3-N-cyclopropyl-1-N-(2,6-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide

3-N-cyclopropyl-1-N-(2,6-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109073023) has the molecular formula C18H18F2N4O2 and a molecular weight of 360.36 g/mol. Its IUPAC name is 3-N-cyclopropyl-1-N-(2,6-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-cyclopropyl-1-N-(2,6-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
PubChem CID109073023
Molecular FormulaC18H18F2N4O2
Molecular Weight360.36 g/mol
Exact Mass360.14
IUPAC Name3-N-cyclopropyl-1-N-(2,6-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESO=C(Nc1c(F)cccc1F)c1nc(C(=O)NC2CC2)n2c1CCCC2
InChIInChI=1S/C18H18F2N4O2/c19-11-4-3-5-12(20)14(11)23-17(25)15-13-6-1-2-9-24(13)16(22-15)18(26)21-10-7-8-10/h3-5,10H,1-2,6-9H2,(H,21,26)(H,23,25)
InChIKeyCDEVCVHZZUWQRN-UHFFFAOYSA-N
XLogP2.64
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.36
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-N-cyclopropyl-1-N-(2,6-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The IUPAC name of 3-N-cyclopropyl-1-N-(2,6-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide (CID 109073023) is 3-N-cyclopropyl-1-N-(2,6-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-cyclopropyl-1-N-(2,6-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The canonical SMILES for 3-N-cyclopropyl-1-N-(2,6-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide is O=C(Nc1c(F)cccc1F)c1nc(C(=O)NC2CC2)n2c1CCCC2.
What is the InChIKey of 3-N-cyclopropyl-1-N-(2,6-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The InChIKey is CDEVCVHZZUWQRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N4O2/c19-11-4-3-5-12(20)14(11)23-17(25)15-13-6-1-2-9-24(13)16(22-15)18(26)21-10-7-8-10/h3-5,10H,1-2,6-9H2,(H,21,26)(H,23,25).
What are the key properties of 3-N-cyclopropyl-1-N-(2,6-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
3-N-cyclopropyl-1-N-(2,6-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide has a molecular weight of 360.36 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-cyclopropyl-1-N-(2,6-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide is sourced from PubChem (CID 109073023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).