4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-(3,4-difluorophenyl)-1H-imidazo[4,5-c]pyridine

C19H19F2N5 — CID 162659141

IUPAC4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-(3,4-difluorophenyl)-1H-imidazo[4,5-c]pyridine
SMILESFc1ccc(-c2nc3c(N4CCN5CCCC5C4)nccc3[nH]2)cc1F
InChIInChI=1S/C19H19F2N5/c20-14-4-3-12(10-15(14)21)18-23-16-5-6-22-19(17(16)24-18)26-9-8-25-7-1-2-13(25)11-26/h3-6,10,13H,1-2,7-9,11H2,(H,23,24)
InChIKeyQXCGSBITDOVZNM-UHFFFAOYSA-N
MW355.39 g/mol
LogP3.19
Rot. Bonds2

About 4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-(3,4-difluorophenyl)-1H-imidazo[4,5-c]pyridine

4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-(3,4-difluorophenyl)-1H-imidazo[4,5-c]pyridine (PubChem CID 162659141) has the molecular formula C19H19F2N5 and a molecular weight of 355.39 g/mol. Its IUPAC name is 4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-(3,4-difluorophenyl)-1H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-(3,4-difluorophenyl)-1H-imidazo[4,5-c]pyridine
PubChem CID162659141
Molecular FormulaC19H19F2N5
Molecular Weight355.39 g/mol
Exact Mass355.16
IUPAC Name4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-(3,4-difluorophenyl)-1H-imidazo[4,5-c]pyridine
SMILESFc1ccc(-c2nc3c(N4CCN5CCCC5C4)nccc3[nH]2)cc1F
InChIInChI=1S/C19H19F2N5/c20-14-4-3-12(10-15(14)21)18-23-16-5-6-22-19(17(16)24-18)26-9-8-25-7-1-2-13(25)11-26/h3-6,10,13H,1-2,7-9,11H2,(H,23,24)
InChIKeyQXCGSBITDOVZNM-UHFFFAOYSA-N
XLogP3.19
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-(3,4-difluorophenyl)-1H-imidazo[4,5-c]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-(3,4-difluorophenyl)-1H-imidazo[4,5-c]pyridine?
The IUPAC name of 4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-(3,4-difluorophenyl)-1H-imidazo[4,5-c]pyridine (CID 162659141) is 4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-(3,4-difluorophenyl)-1H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-(3,4-difluorophenyl)-1H-imidazo[4,5-c]pyridine?
The canonical SMILES for 4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-(3,4-difluorophenyl)-1H-imidazo[4,5-c]pyridine is Fc1ccc(-c2nc3c(N4CCN5CCCC5C4)nccc3[nH]2)cc1F.
What is the InChIKey of 4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-(3,4-difluorophenyl)-1H-imidazo[4,5-c]pyridine?
The InChIKey is QXCGSBITDOVZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N5/c20-14-4-3-12(10-15(14)21)18-23-16-5-6-22-19(17(16)24-18)26-9-8-25-7-1-2-13(25)11-26/h3-6,10,13H,1-2,7-9,11H2,(H,23,24).
What are the key properties of 4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-(3,4-difluorophenyl)-1H-imidazo[4,5-c]pyridine?
4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-(3,4-difluorophenyl)-1H-imidazo[4,5-c]pyridine has a molecular weight of 355.39 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-(3,4-difluorophenyl)-1H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 162659141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).