3-[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperidin-1-yl]-1-methylpyrrolidin-2-one

C27H33N7O2 — CID 138686908

IUPAC3-[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperidin-1-yl]-1-methylpyrrolidin-2-one
SMILESCOc1cc(-c2[nH]c3ccc(C4CCN(C5CCN(C)C5=O)CC4)nc3c2C(C)C)cn2ncnc12
InChIInChI=1S/C27H33N7O2/c1-16(2)23-24(18-13-22(36-4)26-28-15-29-34(26)14-18)31-20-6-5-19(30-25(20)23)17-7-11-33(12-8-17)21-9-10-32(3)27(21)35/h5-6,13-17,21,31H,7-12H2,1-4H3
InChIKeySRRPQZVGMLQNQT-UHFFFAOYSA-N
MW487.61 g/mol
LogP3.81
Rot. Bonds5

About 3-[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperidin-1-yl]-1-methylpyrrolidin-2-one

3-[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperidin-1-yl]-1-methylpyrrolidin-2-one (PubChem CID 138686908) has the molecular formula C27H33N7O2 and a molecular weight of 487.61 g/mol. Its IUPAC name is 3-[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperidin-1-yl]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name3-[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperidin-1-yl]-1-methylpyrrolidin-2-one
PubChem CID138686908
Molecular FormulaC27H33N7O2
Molecular Weight487.61 g/mol
Exact Mass487.27
IUPAC Name3-[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperidin-1-yl]-1-methylpyrrolidin-2-one
SMILESCOc1cc(-c2[nH]c3ccc(C4CCN(C5CCN(C)C5=O)CC4)nc3c2C(C)C)cn2ncnc12
InChIInChI=1S/C27H33N7O2/c1-16(2)23-24(18-13-22(36-4)26-28-15-29-34(26)14-18)31-20-6-5-19(30-25(20)23)17-7-11-33(12-8-17)21-9-10-32(3)27(21)35/h5-6,13-17,21,31H,7-12H2,1-4H3
InChIKeySRRPQZVGMLQNQT-UHFFFAOYSA-N
XLogP3.81
TPSA91.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.61
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperidin-1-yl]-1-methylpyrrolidin-2-one 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 3-[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperidin-1-yl]-1-methylpyrrolidin-2-one?
The IUPAC name of 3-[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperidin-1-yl]-1-methylpyrrolidin-2-one (CID 138686908) is 3-[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperidin-1-yl]-1-methylpyrrolidin-2-one.
What is the SMILES notation for 3-[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperidin-1-yl]-1-methylpyrrolidin-2-one?
The canonical SMILES for 3-[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperidin-1-yl]-1-methylpyrrolidin-2-one is COc1cc(-c2[nH]c3ccc(C4CCN(C5CCN(C)C5=O)CC4)nc3c2C(C)C)cn2ncnc12.
What is the InChIKey of 3-[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperidin-1-yl]-1-methylpyrrolidin-2-one?
The InChIKey is SRRPQZVGMLQNQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N7O2/c1-16(2)23-24(18-13-22(36-4)26-28-15-29-34(26)14-18)31-20-6-5-19(30-25(20)23)17-7-11-33(12-8-17)21-9-10-32(3)27(21)35/h5-6,13-17,21,31H,7-12H2,1-4H3.
What are the key properties of 3-[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperidin-1-yl]-1-methylpyrrolidin-2-one?
3-[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperidin-1-yl]-1-methylpyrrolidin-2-one has a molecular weight of 487.61 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperidin-1-yl]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 138686908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).