1-cyclopropyl-4-fluoro-3-[[1-(4,4,4-trifluorobutyl)pyrrolo[3,2-c]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one

C21H19F4N5O — CID 57383954

IUPAC1-cyclopropyl-4-fluoro-3-[[1-(4,4,4-trifluorobutyl)pyrrolo[3,2-c]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
SMILESO=c1n(Cc2cc3cnccc3n2CCCC(F)(F)F)c2c(F)nccc2n1C1CC1
InChIInChI=1S/C21H19F4N5O/c22-19-18-17(5-8-27-19)30(14-2-3-14)20(31)29(18)12-15-10-13-11-26-7-4-16(13)28(15)9-1-6-21(23,24)25/h4-5,7-8,10-11,14H,1-3,6,9,12H2
InChIKeyFGGKDVOYDMWPOD-UHFFFAOYSA-N
MW433.41 g/mol
LogP4.41
Rot. Bonds6

About 1-cyclopropyl-4-fluoro-3-[[1-(4,4,4-trifluorobutyl)pyrrolo[3,2-c]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one

1-cyclopropyl-4-fluoro-3-[[1-(4,4,4-trifluorobutyl)pyrrolo[3,2-c]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one (PubChem CID 57383954) has the molecular formula C21H19F4N5O and a molecular weight of 433.41 g/mol. Its IUPAC name is 1-cyclopropyl-4-fluoro-3-[[1-(4,4,4-trifluorobutyl)pyrrolo[3,2-c]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-4-fluoro-3-[[1-(4,4,4-trifluorobutyl)pyrrolo[3,2-c]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
PubChem CID57383954
Molecular FormulaC21H19F4N5O
Molecular Weight433.41 g/mol
Exact Mass433.15
IUPAC Name1-cyclopropyl-4-fluoro-3-[[1-(4,4,4-trifluorobutyl)pyrrolo[3,2-c]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
SMILESO=c1n(Cc2cc3cnccc3n2CCCC(F)(F)F)c2c(F)nccc2n1C1CC1
InChIInChI=1S/C21H19F4N5O/c22-19-18-17(5-8-27-19)30(14-2-3-14)20(31)29(18)12-15-10-13-11-26-7-4-16(13)28(15)9-1-6-21(23,24)25/h4-5,7-8,10-11,14H,1-3,6,9,12H2
InChIKeyFGGKDVOYDMWPOD-UHFFFAOYSA-N
XLogP4.41
TPSA57.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.41
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 1-cyclopropyl-4-fluoro-3-[[1-(4,4,4-trifluorobutyl)pyrrolo[3,2-c]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-fluoro-3-[[1-(4,4,4-trifluorobutyl)pyrrolo[3,2-c]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one?
The IUPAC name of 1-cyclopropyl-4-fluoro-3-[[1-(4,4,4-trifluorobutyl)pyrrolo[3,2-c]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one (CID 57383954) is 1-cyclopropyl-4-fluoro-3-[[1-(4,4,4-trifluorobutyl)pyrrolo[3,2-c]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one.
What is the SMILES notation for 1-cyclopropyl-4-fluoro-3-[[1-(4,4,4-trifluorobutyl)pyrrolo[3,2-c]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one?
The canonical SMILES for 1-cyclopropyl-4-fluoro-3-[[1-(4,4,4-trifluorobutyl)pyrrolo[3,2-c]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one is O=c1n(Cc2cc3cnccc3n2CCCC(F)(F)F)c2c(F)nccc2n1C1CC1.
What is the InChIKey of 1-cyclopropyl-4-fluoro-3-[[1-(4,4,4-trifluorobutyl)pyrrolo[3,2-c]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one?
The InChIKey is FGGKDVOYDMWPOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F4N5O/c22-19-18-17(5-8-27-19)30(14-2-3-14)20(31)29(18)12-15-10-13-11-26-7-4-16(13)28(15)9-1-6-21(23,24)25/h4-5,7-8,10-11,14H,1-3,6,9,12H2.
What are the key properties of 1-cyclopropyl-4-fluoro-3-[[1-(4,4,4-trifluorobutyl)pyrrolo[3,2-c]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one?
1-cyclopropyl-4-fluoro-3-[[1-(4,4,4-trifluorobutyl)pyrrolo[3,2-c]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one has a molecular weight of 433.41 g/mol, XLogP of 4.41, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-fluoro-3-[[1-(4,4,4-trifluorobutyl)pyrrolo[3,2-c]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 57383954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).