5-[1-[3-[7-[3-[1-(3,3-difluoro-2,2-dimethylpropyl)pyrazol-4-yl]-5-fluoro-2-pyridinyl]-2-methylimidazo[1,2-a]pyridin-3-yl]-2,2-dimethylpropyl]pyrazol-4-yl]-6-[2-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]pyridine-2-carbonitrile

C43H41F3N12O — CID 137389998

IUPAC5-[1-[3-[7-[3-[1-(3,3-difluoro-2,2-dimethylpropyl)pyrazol-4-yl]-5-fluoro-2-pyridinyl]-2-methylimidazo[1,2-a]pyridin-3-yl]-2,2-dimethylpropyl]pyrazol-4-yl]-6-[2-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]pyridine-2-carbonitrile
SMILESCOCc1nc2cc(-c3nc(C#N)ccc3-c3cnn(CC(C)(C)Cc4c(C)nc5cc(-c6ncc(F)cc6-c6cnn(CC(C)(C)C(F)F)c6)ccn45)c3)ccn2n1
InChIInChI=1S/C43H41F3N12O/c1-26-35(57-11-9-27(13-37(57)51-26)39-34(15-31(44)20-48-39)30-19-50-56(22-30)25-43(4,5)41(45)46)16-42(2,3)24-55-21-29(18-49-55)33-8-7-32(17-47)52-40(33)28-10-12-58-38(14-28)53-36(54-58)23-59-6/h7-15,18-22,41H,16,23-25H2,1-6H3
InChIKeyJNNYADFHCWYBDL-UHFFFAOYSA-N
MW798.88 g/mol
LogP8.25
Rot. Bonds13

About 5-[1-[3-[7-[3-[1-(3,3-difluoro-2,2-dimethylpropyl)pyrazol-4-yl]-5-fluoro-2-pyridinyl]-2-methylimidazo[1,2-a]pyridin-3-yl]-2,2-dimethylpropyl]pyrazol-4-yl]-6-[2-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]pyridine-2-carbonitrile

5-[1-[3-[7-[3-[1-(3,3-difluoro-2,2-dimethylpropyl)pyrazol-4-yl]-5-fluoro-2-pyridinyl]-2-methylimidazo[1,2-a]pyridin-3-yl]-2,2-dimethylpropyl]pyrazol-4-yl]-6-[2-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]pyridine-2-carbonitrile (PubChem CID 137389998) has the molecular formula C43H41F3N12O and a molecular weight of 798.88 g/mol. Its IUPAC name is 5-[1-[3-[7-[3-[1-(3,3-difluoro-2,2-dimethylpropyl)pyrazol-4-yl]-5-fluoro-2-pyridinyl]-2-methylimidazo[1,2-a]pyridin-3-yl]-2,2-dimethylpropyl]pyrazol-4-yl]-6-[2-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[1-[3-[7-[3-[1-(3,3-difluoro-2,2-dimethylpropyl)pyrazol-4-yl]-5-fluoro-2-pyridinyl]-2-methylimidazo[1,2-a]pyridin-3-yl]-2,2-dimethylpropyl]pyrazol-4-yl]-6-[2-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]pyridine-2-carbonitrile
PubChem CID137389998
Molecular FormulaC43H41F3N12O
Molecular Weight798.88 g/mol
Exact Mass798.35
IUPAC Name5-[1-[3-[7-[3-[1-(3,3-difluoro-2,2-dimethylpropyl)pyrazol-4-yl]-5-fluoro-2-pyridinyl]-2-methylimidazo[1,2-a]pyridin-3-yl]-2,2-dimethylpropyl]pyrazol-4-yl]-6-[2-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]pyridine-2-carbonitrile
SMILESCOCc1nc2cc(-c3nc(C#N)ccc3-c3cnn(CC(C)(C)Cc4c(C)nc5cc(-c6ncc(F)cc6-c6cnn(CC(C)(C)C(F)F)c6)ccn45)c3)ccn2n1
InChIInChI=1S/C43H41F3N12O/c1-26-35(57-11-9-27(13-37(57)51-26)39-34(15-31(44)20-48-39)30-19-50-56(22-30)25-43(4,5)41(45)46)16-42(2,3)24-55-21-29(18-49-55)33-8-7-32(17-47)52-40(33)28-10-12-58-38(14-28)53-36(54-58)23-59-6/h7-15,18-22,41H,16,23-25H2,1-6H3
InChIKeyJNNYADFHCWYBDL-UHFFFAOYSA-N
XLogP8.25
TPSA141.93 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds13
Heavy Atoms59
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500798.88
LogP ≤ 58.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 5-[1-[3-[7-[3-[1-(3,3-difluoro-2,2-dimethylpropyl)pyrazol-4-yl]-5-fluoro-2-pyridinyl]-2-methylimidazo[1,2-a]pyridin-3-yl]-2,2-dimethylpropyl]pyrazol-4-yl]-6-[2-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]pyridine-2-carbonitrile 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-[1-[3-[7-[3-[1-(3,3-difluoro-2,2-dimethylpropyl)pyrazol-4-yl]-5-fluoro-2-pyridinyl]-2-methylimidazo[1,2-a]pyridin-3-yl]-2,2-dimethylpropyl]pyrazol-4-yl]-6-[2-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]pyridine-2-carbonitrile?
The IUPAC name of 5-[1-[3-[7-[3-[1-(3,3-difluoro-2,2-dimethylpropyl)pyrazol-4-yl]-5-fluoro-2-pyridinyl]-2-methylimidazo[1,2-a]pyridin-3-yl]-2,2-dimethylpropyl]pyrazol-4-yl]-6-[2-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]pyridine-2-carbonitrile (CID 137389998) is 5-[1-[3-[7-[3-[1-(3,3-difluoro-2,2-dimethylpropyl)pyrazol-4-yl]-5-fluoro-2-pyridinyl]-2-methylimidazo[1,2-a]pyridin-3-yl]-2,2-dimethylpropyl]pyrazol-4-yl]-6-[2-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[1-[3-[7-[3-[1-(3,3-difluoro-2,2-dimethylpropyl)pyrazol-4-yl]-5-fluoro-2-pyridinyl]-2-methylimidazo[1,2-a]pyridin-3-yl]-2,2-dimethylpropyl]pyrazol-4-yl]-6-[2-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]pyridine-2-carbonitrile?
The canonical SMILES for 5-[1-[3-[7-[3-[1-(3,3-difluoro-2,2-dimethylpropyl)pyrazol-4-yl]-5-fluoro-2-pyridinyl]-2-methylimidazo[1,2-a]pyridin-3-yl]-2,2-dimethylpropyl]pyrazol-4-yl]-6-[2-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]pyridine-2-carbonitrile is COCc1nc2cc(-c3nc(C#N)ccc3-c3cnn(CC(C)(C)Cc4c(C)nc5cc(-c6ncc(F)cc6-c6cnn(CC(C)(C)C(F)F)c6)ccn45)c3)ccn2n1.
What is the InChIKey of 5-[1-[3-[7-[3-[1-(3,3-difluoro-2,2-dimethylpropyl)pyrazol-4-yl]-5-fluoro-2-pyridinyl]-2-methylimidazo[1,2-a]pyridin-3-yl]-2,2-dimethylpropyl]pyrazol-4-yl]-6-[2-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]pyridine-2-carbonitrile?
The InChIKey is JNNYADFHCWYBDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H41F3N12O/c1-26-35(57-11-9-27(13-37(57)51-26)39-34(15-31(44)20-48-39)30-19-50-56(22-30)25-43(4,5)41(45)46)16-42(2,3)24-55-21-29(18-49-55)33-8-7-32(17-47)52-40(33)28-10-12-58-38(14-28)53-36(54-58)23-59-6/h7-15,18-22,41H,16,23-25H2,1-6H3.
What are the key properties of 5-[1-[3-[7-[3-[1-(3,3-difluoro-2,2-dimethylpropyl)pyrazol-4-yl]-5-fluoro-2-pyridinyl]-2-methylimidazo[1,2-a]pyridin-3-yl]-2,2-dimethylpropyl]pyrazol-4-yl]-6-[2-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]pyridine-2-carbonitrile?
5-[1-[3-[7-[3-[1-(3,3-difluoro-2,2-dimethylpropyl)pyrazol-4-yl]-5-fluoro-2-pyridinyl]-2-methylimidazo[1,2-a]pyridin-3-yl]-2,2-dimethylpropyl]pyrazol-4-yl]-6-[2-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]pyridine-2-carbonitrile has a molecular weight of 798.88 g/mol, XLogP of 8.25, 13 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[3-[7-[3-[1-(3,3-difluoro-2,2-dimethylpropyl)pyrazol-4-yl]-5-fluoro-2-pyridinyl]-2-methylimidazo[1,2-a]pyridin-3-yl]-2,2-dimethylpropyl]pyrazol-4-yl]-6-[2-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 137389998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).