5-fluoro-2-[[3-(1-methylindol-5-yl)-4-oxo-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-1-yl]methyl]benzonitrile

C29H22FN5O — CID 146012448

IUPAC5-fluoro-2-[[3-(1-methylindol-5-yl)-4-oxo-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-1-yl]methyl]benzonitrile
SMILESCn1ccc2cc(-c3c4c(n(Cc5ccc(F)cc5C#N)c3-c3ccncc3)CCNC4=O)ccc21
InChIInChI=1S/C29H22FN5O/c1-34-13-9-19-14-20(3-5-24(19)34)26-27-25(8-12-33-29(27)36)35(28(26)18-6-10-32-11-7-18)17-21-2-4-23(30)15-22(21)16-31/h2-7,9-11,13-15H,8,12,17H2,1H3,(H,33,36)
InChIKeyDZDDFYHTXKFHOH-UHFFFAOYSA-N
MW475.53 g/mol
LogP5.05
Rot. Bonds4

About 5-fluoro-2-[[3-(1-methylindol-5-yl)-4-oxo-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-1-yl]methyl]benzonitrile

5-fluoro-2-[[3-(1-methylindol-5-yl)-4-oxo-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-1-yl]methyl]benzonitrile (PubChem CID 146012448) has the molecular formula C29H22FN5O and a molecular weight of 475.53 g/mol. Its IUPAC name is 5-fluoro-2-[[3-(1-methylindol-5-yl)-4-oxo-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-1-yl]methyl]benzonitrile.

Molecular Properties

Compound Name5-fluoro-2-[[3-(1-methylindol-5-yl)-4-oxo-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-1-yl]methyl]benzonitrile
PubChem CID146012448
Molecular FormulaC29H22FN5O
Molecular Weight475.53 g/mol
Exact Mass475.18
IUPAC Name5-fluoro-2-[[3-(1-methylindol-5-yl)-4-oxo-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-1-yl]methyl]benzonitrile
SMILESCn1ccc2cc(-c3c4c(n(Cc5ccc(F)cc5C#N)c3-c3ccncc3)CCNC4=O)ccc21
InChIInChI=1S/C29H22FN5O/c1-34-13-9-19-14-20(3-5-24(19)34)26-27-25(8-12-33-29(27)36)35(28(26)18-6-10-32-11-7-18)17-21-2-4-23(30)15-22(21)16-31/h2-7,9-11,13-15H,8,12,17H2,1H3,(H,33,36)
InChIKeyDZDDFYHTXKFHOH-UHFFFAOYSA-N
XLogP5.05
TPSA75.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.53
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-fluoro-2-[[3-(1-methylindol-5-yl)-4-oxo-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-1-yl]methyl]benzonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[[3-(1-methylindol-5-yl)-4-oxo-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-1-yl]methyl]benzonitrile?
The IUPAC name of 5-fluoro-2-[[3-(1-methylindol-5-yl)-4-oxo-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-1-yl]methyl]benzonitrile (CID 146012448) is 5-fluoro-2-[[3-(1-methylindol-5-yl)-4-oxo-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-1-yl]methyl]benzonitrile.
What is the SMILES notation for 5-fluoro-2-[[3-(1-methylindol-5-yl)-4-oxo-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-1-yl]methyl]benzonitrile?
The canonical SMILES for 5-fluoro-2-[[3-(1-methylindol-5-yl)-4-oxo-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-1-yl]methyl]benzonitrile is Cn1ccc2cc(-c3c4c(n(Cc5ccc(F)cc5C#N)c3-c3ccncc3)CCNC4=O)ccc21.
What is the InChIKey of 5-fluoro-2-[[3-(1-methylindol-5-yl)-4-oxo-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-1-yl]methyl]benzonitrile?
The InChIKey is DZDDFYHTXKFHOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22FN5O/c1-34-13-9-19-14-20(3-5-24(19)34)26-27-25(8-12-33-29(27)36)35(28(26)18-6-10-32-11-7-18)17-21-2-4-23(30)15-22(21)16-31/h2-7,9-11,13-15H,8,12,17H2,1H3,(H,33,36).
What are the key properties of 5-fluoro-2-[[3-(1-methylindol-5-yl)-4-oxo-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-1-yl]methyl]benzonitrile?
5-fluoro-2-[[3-(1-methylindol-5-yl)-4-oxo-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-1-yl]methyl]benzonitrile has a molecular weight of 475.53 g/mol, XLogP of 5.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[[3-(1-methylindol-5-yl)-4-oxo-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-1-yl]methyl]benzonitrile is sourced from PubChem (CID 146012448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).