[6-[1-(6-cyano-2-pyridinyl)indazol-6-yl]-2-pyridinyl]methyl-[(2,4-dimethoxyphenyl)methyl]carbamic acid

C29H24N6O4 — CID 118663780

IUPAC[6-[1-(6-cyano-2-pyridinyl)indazol-6-yl]-2-pyridinyl]methyl-[(2,4-dimethoxyphenyl)methyl]carbamic acid
SMILESCOc1ccc(CN(Cc2cccc(-c3ccc4cnn(-c5cccc(C#N)n5)c4c3)n2)C(=O)O)c(OC)c1
InChIInChI=1S/C29H24N6O4/c1-38-24-12-11-21(27(14-24)39-2)17-34(29(36)37)18-23-6-3-7-25(32-23)19-9-10-20-16-31-35(26(20)13-19)28-8-4-5-22(15-30)33-28/h3-14,16H,17-18H2,1-2H3,(H,36,37)
InChIKeyIOBIZMSBSGFKPE-UHFFFAOYSA-N
MW520.55 g/mol
LogP5.05
Rot. Bonds8

About [6-[1-(6-cyano-2-pyridinyl)indazol-6-yl]-2-pyridinyl]methyl-[(2,4-dimethoxyphenyl)methyl]carbamic acid

[6-[1-(6-cyano-2-pyridinyl)indazol-6-yl]-2-pyridinyl]methyl-[(2,4-dimethoxyphenyl)methyl]carbamic acid (PubChem CID 118663780) has the molecular formula C29H24N6O4 and a molecular weight of 520.55 g/mol. Its IUPAC name is [6-[1-(6-cyano-2-pyridinyl)indazol-6-yl]-2-pyridinyl]methyl-[(2,4-dimethoxyphenyl)methyl]carbamic acid.

Molecular Properties

Compound Name[6-[1-(6-cyano-2-pyridinyl)indazol-6-yl]-2-pyridinyl]methyl-[(2,4-dimethoxyphenyl)methyl]carbamic acid
PubChem CID118663780
Molecular FormulaC29H24N6O4
Molecular Weight520.55 g/mol
Exact Mass520.19
IUPAC Name[6-[1-(6-cyano-2-pyridinyl)indazol-6-yl]-2-pyridinyl]methyl-[(2,4-dimethoxyphenyl)methyl]carbamic acid
SMILESCOc1ccc(CN(Cc2cccc(-c3ccc4cnn(-c5cccc(C#N)n5)c4c3)n2)C(=O)O)c(OC)c1
InChIInChI=1S/C29H24N6O4/c1-38-24-12-11-21(27(14-24)39-2)17-34(29(36)37)18-23-6-3-7-25(32-23)19-9-10-20-16-31-35(26(20)13-19)28-8-4-5-22(15-30)33-28/h3-14,16H,17-18H2,1-2H3,(H,36,37)
InChIKeyIOBIZMSBSGFKPE-UHFFFAOYSA-N
XLogP5.05
TPSA126.39 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.55
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [6-[1-(6-cyano-2-pyridinyl)indazol-6-yl]-2-pyridinyl]methyl-[(2,4-dimethoxyphenyl)methyl]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 [6-[1-(6-cyano-2-pyridinyl)indazol-6-yl]-2-pyridinyl]methyl-[(2,4-dimethoxyphenyl)methyl]carbamic acid?
The IUPAC name of [6-[1-(6-cyano-2-pyridinyl)indazol-6-yl]-2-pyridinyl]methyl-[(2,4-dimethoxyphenyl)methyl]carbamic acid (CID 118663780) is [6-[1-(6-cyano-2-pyridinyl)indazol-6-yl]-2-pyridinyl]methyl-[(2,4-dimethoxyphenyl)methyl]carbamic acid.
What is the SMILES notation for [6-[1-(6-cyano-2-pyridinyl)indazol-6-yl]-2-pyridinyl]methyl-[(2,4-dimethoxyphenyl)methyl]carbamic acid?
The canonical SMILES for [6-[1-(6-cyano-2-pyridinyl)indazol-6-yl]-2-pyridinyl]methyl-[(2,4-dimethoxyphenyl)methyl]carbamic acid is COc1ccc(CN(Cc2cccc(-c3ccc4cnn(-c5cccc(C#N)n5)c4c3)n2)C(=O)O)c(OC)c1.
What is the InChIKey of [6-[1-(6-cyano-2-pyridinyl)indazol-6-yl]-2-pyridinyl]methyl-[(2,4-dimethoxyphenyl)methyl]carbamic acid?
The InChIKey is IOBIZMSBSGFKPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N6O4/c1-38-24-12-11-21(27(14-24)39-2)17-34(29(36)37)18-23-6-3-7-25(32-23)19-9-10-20-16-31-35(26(20)13-19)28-8-4-5-22(15-30)33-28/h3-14,16H,17-18H2,1-2H3,(H,36,37).
What are the key properties of [6-[1-(6-cyano-2-pyridinyl)indazol-6-yl]-2-pyridinyl]methyl-[(2,4-dimethoxyphenyl)methyl]carbamic acid?
[6-[1-(6-cyano-2-pyridinyl)indazol-6-yl]-2-pyridinyl]methyl-[(2,4-dimethoxyphenyl)methyl]carbamic acid has a molecular weight of 520.55 g/mol, XLogP of 5.05, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[1-(6-cyano-2-pyridinyl)indazol-6-yl]-2-pyridinyl]methyl-[(2,4-dimethoxyphenyl)methyl]carbamic acid is sourced from PubChem (CID 118663780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).