2-fluoro-4-[1-[(4-hydroxypiperidin-4-yl)methyl]-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile

C28H25FN6O — CID 142474923

IUPAC2-fluoro-4-[1-[(4-hydroxypiperidin-4-yl)methyl]-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile
SMILESCn1ncc2cc(-c3ncc4c(ccn4CC4(O)CCNCC4)c3-c3ccc(C#N)c(F)c3)ccc21
InChIInChI=1S/C28H25FN6O/c1-34-24-5-4-19(12-21(24)15-33-34)27-26(18-2-3-20(14-30)23(29)13-18)22-6-11-35(25(22)16-32-27)17-28(36)7-9-31-10-8-28/h2-6,11-13,15-16,31,36H,7-10,17H2,1H3
InChIKeyDYSGAPPGBZYANN-UHFFFAOYSA-N
MW480.55 g/mol
LogP4.38
Rot. Bonds4

About 2-fluoro-4-[1-[(4-hydroxypiperidin-4-yl)methyl]-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile

2-fluoro-4-[1-[(4-hydroxypiperidin-4-yl)methyl]-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile (PubChem CID 142474923) has the molecular formula C28H25FN6O and a molecular weight of 480.55 g/mol. Its IUPAC name is 2-fluoro-4-[1-[(4-hydroxypiperidin-4-yl)methyl]-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile.

Molecular Properties

Compound Name2-fluoro-4-[1-[(4-hydroxypiperidin-4-yl)methyl]-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile
PubChem CID142474923
Molecular FormulaC28H25FN6O
Molecular Weight480.55 g/mol
Exact Mass480.21
IUPAC Name2-fluoro-4-[1-[(4-hydroxypiperidin-4-yl)methyl]-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile
SMILESCn1ncc2cc(-c3ncc4c(ccn4CC4(O)CCNCC4)c3-c3ccc(C#N)c(F)c3)ccc21
InChIInChI=1S/C28H25FN6O/c1-34-24-5-4-19(12-21(24)15-33-34)27-26(18-2-3-20(14-30)23(29)13-18)22-6-11-35(25(22)16-32-27)17-28(36)7-9-31-10-8-28/h2-6,11-13,15-16,31,36H,7-10,17H2,1H3
InChIKeyDYSGAPPGBZYANN-UHFFFAOYSA-N
XLogP4.38
TPSA91.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.55
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-fluoro-4-[1-[(4-hydroxypiperidin-4-yl)methyl]-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[1-[(4-hydroxypiperidin-4-yl)methyl]-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile?
The IUPAC name of 2-fluoro-4-[1-[(4-hydroxypiperidin-4-yl)methyl]-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile (CID 142474923) is 2-fluoro-4-[1-[(4-hydroxypiperidin-4-yl)methyl]-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile.
What is the SMILES notation for 2-fluoro-4-[1-[(4-hydroxypiperidin-4-yl)methyl]-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile?
The canonical SMILES for 2-fluoro-4-[1-[(4-hydroxypiperidin-4-yl)methyl]-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile is Cn1ncc2cc(-c3ncc4c(ccn4CC4(O)CCNCC4)c3-c3ccc(C#N)c(F)c3)ccc21.
What is the InChIKey of 2-fluoro-4-[1-[(4-hydroxypiperidin-4-yl)methyl]-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile?
The InChIKey is DYSGAPPGBZYANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25FN6O/c1-34-24-5-4-19(12-21(24)15-33-34)27-26(18-2-3-20(14-30)23(29)13-18)22-6-11-35(25(22)16-32-27)17-28(36)7-9-31-10-8-28/h2-6,11-13,15-16,31,36H,7-10,17H2,1H3.
What are the key properties of 2-fluoro-4-[1-[(4-hydroxypiperidin-4-yl)methyl]-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile?
2-fluoro-4-[1-[(4-hydroxypiperidin-4-yl)methyl]-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile has a molecular weight of 480.55 g/mol, XLogP of 4.38, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[1-[(4-hydroxypiperidin-4-yl)methyl]-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile is sourced from PubChem (CID 142474923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).