[5-[9-(4-cyano-3-fluorophenyl)carbazol-4-yl]-2-pyridinyl]carbamic acid

C25H15FN4O2 — CID 68632808

IUPAC[5-[9-(4-cyano-3-fluorophenyl)carbazol-4-yl]-2-pyridinyl]carbamic acid
SMILESN#Cc1ccc(-n2c3ccccc3c3c(-c4ccc(NC(=O)O)nc4)cccc32)cc1F
InChIInChI=1S/C25H15FN4O2/c26-20-12-17(10-8-15(20)13-27)30-21-6-2-1-4-19(21)24-18(5-3-7-22(24)30)16-9-11-23(28-14-16)29-25(31)32/h1-12,14H,(H,28,29)(H,31,32)
InChIKeyCNNVUGYJGWMPLQ-UHFFFAOYSA-N
MW422.42 g/mol
LogP5.95
Rot. Bonds3

About [5-[9-(4-cyano-3-fluorophenyl)carbazol-4-yl]-2-pyridinyl]carbamic acid

[5-[9-(4-cyano-3-fluorophenyl)carbazol-4-yl]-2-pyridinyl]carbamic acid (PubChem CID 68632808) has the molecular formula C25H15FN4O2 and a molecular weight of 422.42 g/mol. Its IUPAC name is [5-[9-(4-cyano-3-fluorophenyl)carbazol-4-yl]-2-pyridinyl]carbamic acid.

Molecular Properties

Compound Name[5-[9-(4-cyano-3-fluorophenyl)carbazol-4-yl]-2-pyridinyl]carbamic acid
PubChem CID68632808
Molecular FormulaC25H15FN4O2
Molecular Weight422.42 g/mol
Exact Mass422.12
IUPAC Name[5-[9-(4-cyano-3-fluorophenyl)carbazol-4-yl]-2-pyridinyl]carbamic acid
SMILESN#Cc1ccc(-n2c3ccccc3c3c(-c4ccc(NC(=O)O)nc4)cccc32)cc1F
InChIInChI=1S/C25H15FN4O2/c26-20-12-17(10-8-15(20)13-27)30-21-6-2-1-4-19(21)24-18(5-3-7-22(24)30)16-9-11-23(28-14-16)29-25(31)32/h1-12,14H,(H,28,29)(H,31,32)
InChIKeyCNNVUGYJGWMPLQ-UHFFFAOYSA-N
XLogP5.95
TPSA90.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.42
LogP ≤ 55.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [5-[9-(4-cyano-3-fluorophenyl)carbazol-4-yl]-2-pyridinyl]carbamic acid 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 [5-[9-(4-cyano-3-fluorophenyl)carbazol-4-yl]-2-pyridinyl]carbamic acid?
The IUPAC name of [5-[9-(4-cyano-3-fluorophenyl)carbazol-4-yl]-2-pyridinyl]carbamic acid (CID 68632808) is [5-[9-(4-cyano-3-fluorophenyl)carbazol-4-yl]-2-pyridinyl]carbamic acid.
What is the SMILES notation for [5-[9-(4-cyano-3-fluorophenyl)carbazol-4-yl]-2-pyridinyl]carbamic acid?
The canonical SMILES for [5-[9-(4-cyano-3-fluorophenyl)carbazol-4-yl]-2-pyridinyl]carbamic acid is N#Cc1ccc(-n2c3ccccc3c3c(-c4ccc(NC(=O)O)nc4)cccc32)cc1F.
What is the InChIKey of [5-[9-(4-cyano-3-fluorophenyl)carbazol-4-yl]-2-pyridinyl]carbamic acid?
The InChIKey is CNNVUGYJGWMPLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H15FN4O2/c26-20-12-17(10-8-15(20)13-27)30-21-6-2-1-4-19(21)24-18(5-3-7-22(24)30)16-9-11-23(28-14-16)29-25(31)32/h1-12,14H,(H,28,29)(H,31,32).
What are the key properties of [5-[9-(4-cyano-3-fluorophenyl)carbazol-4-yl]-2-pyridinyl]carbamic acid?
[5-[9-(4-cyano-3-fluorophenyl)carbazol-4-yl]-2-pyridinyl]carbamic acid has a molecular weight of 422.42 g/mol, XLogP of 5.95, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[9-(4-cyano-3-fluorophenyl)carbazol-4-yl]-2-pyridinyl]carbamic acid is sourced from PubChem (CID 68632808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).