7,8-dimethyl-6-[4-methyl-5-[4-(oxan-4-yl)piperazin-1-yl]-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine

C28H37N7O — CID 155226469

IUPAC7,8-dimethyl-6-[4-methyl-5-[4-(oxan-4-yl)piperazin-1-yl]-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1c(-c2[nH]c3cnc(N4CCN(C5CCOCC5)CC4)c(C)c3c2C(C)C)cn2ncnc2c1C
InChIInChI=1S/C28H37N7O/c1-17(2)24-25-20(5)27(34-10-8-33(9-11-34)21-6-12-36-13-7-21)29-14-23(25)32-26(24)22-15-35-28(30-16-31-35)19(4)18(22)3/h14-17,21,32H,6-13H2,1-5H3
InChIKeyAFQWWHSAZZAJJM-UHFFFAOYSA-N
MW487.65 g/mol
LogP4.62
Rot. Bonds4

About 7,8-dimethyl-6-[4-methyl-5-[4-(oxan-4-yl)piperazin-1-yl]-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine

7,8-dimethyl-6-[4-methyl-5-[4-(oxan-4-yl)piperazin-1-yl]-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 155226469) has the molecular formula C28H37N7O and a molecular weight of 487.65 g/mol. Its IUPAC name is 7,8-dimethyl-6-[4-methyl-5-[4-(oxan-4-yl)piperazin-1-yl]-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name7,8-dimethyl-6-[4-methyl-5-[4-(oxan-4-yl)piperazin-1-yl]-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID155226469
Molecular FormulaC28H37N7O
Molecular Weight487.65 g/mol
Exact Mass487.31
IUPAC Name7,8-dimethyl-6-[4-methyl-5-[4-(oxan-4-yl)piperazin-1-yl]-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1c(-c2[nH]c3cnc(N4CCN(C5CCOCC5)CC4)c(C)c3c2C(C)C)cn2ncnc2c1C
InChIInChI=1S/C28H37N7O/c1-17(2)24-25-20(5)27(34-10-8-33(9-11-34)21-6-12-36-13-7-21)29-14-23(25)32-26(24)22-15-35-28(30-16-31-35)19(4)18(22)3/h14-17,21,32H,6-13H2,1-5H3
InChIKeyAFQWWHSAZZAJJM-UHFFFAOYSA-N
XLogP4.62
TPSA74.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.65
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 7,8-dimethyl-6-[4-methyl-5-[4-(oxan-4-yl)piperazin-1-yl]-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine with MolForge

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

Launch Full Analysis

Related Compounds

6-[4-fluoro-5-[2-methyl-4-(oxan-4-yl)piperazin-1-yl]-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl]-7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine
CID 155226054
6-[5-[4-(cyclobutylmethyl)piperazin-1-yl]-4-fluoro-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl]-7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine
CID 155382109
6-[4-fluoro-5-[(2R)-2-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl]-7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine
CID 155226444
8-methoxy-6-[4-methyl-5-[4-(oxan-4-ylmethyl)piperidin-1-yl]-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine
CID 158237983
4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-methyl-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-5-yl]-N,N-dimethylcyclohexan-1-amine;ethane
CID 167674928
6-[4-fluoro-5-[5-(2-methylpropyl)-1,5-diazocan-1-yl]-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl]-7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine
CID 155382086
8-methyl-6-[4-methyl-5-[4-(oxetan-3-ylmethyl)piperidin-1-yl]-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine
CID 158220720
6-[4-fluoro-5-[(2R)-2-methylpiperazin-1-yl]-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl]-7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine
CID 155355862
6-[4-fluoro-5-[(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl]-7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine
CID 155226177
6-[4-fluoro-5-[4-(oxetan-3-yl)piperazin-1-yl]-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine
CID 155226196
7,8-dimethyl-6-(2-piperidin-4-yl-7-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidin-6-yl)-[1,2,4]triazolo[1,5-a]pyridine
CID 155161041
7,8-dimethyl-6-(5-piperidin-4-yl-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine
CID 155226265

Frequently Asked Questions

What is the IUPAC name of 7,8-dimethyl-6-[4-methyl-5-[4-(oxan-4-yl)piperazin-1-yl]-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 7,8-dimethyl-6-[4-methyl-5-[4-(oxan-4-yl)piperazin-1-yl]-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine (CID 155226469) is 7,8-dimethyl-6-[4-methyl-5-[4-(oxan-4-yl)piperazin-1-yl]-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 7,8-dimethyl-6-[4-methyl-5-[4-(oxan-4-yl)piperazin-1-yl]-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 7,8-dimethyl-6-[4-methyl-5-[4-(oxan-4-yl)piperazin-1-yl]-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine is Cc1c(-c2[nH]c3cnc(N4CCN(C5CCOCC5)CC4)c(C)c3c2C(C)C)cn2ncnc2c1C.
What is the InChIKey of 7,8-dimethyl-6-[4-methyl-5-[4-(oxan-4-yl)piperazin-1-yl]-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is AFQWWHSAZZAJJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N7O/c1-17(2)24-25-20(5)27(34-10-8-33(9-11-34)21-6-12-36-13-7-21)29-14-23(25)32-26(24)22-15-35-28(30-16-31-35)19(4)18(22)3/h14-17,21,32H,6-13H2,1-5H3.
What are the key properties of 7,8-dimethyl-6-[4-methyl-5-[4-(oxan-4-yl)piperazin-1-yl]-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine?
7,8-dimethyl-6-[4-methyl-5-[4-(oxan-4-yl)piperazin-1-yl]-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 487.65 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethyl-6-[4-methyl-5-[4-(oxan-4-yl)piperazin-1-yl]-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 155226469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).