3-[8-[(5,6-dimethoxy-2-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-N-(2-oxo-1,3-dihydroindol-5-yl)benzamide

C28H23N7O4 — CID 71074131

IUPAC3-[8-[(5,6-dimethoxy-2-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-N-(2-oxo-1,3-dihydroindol-5-yl)benzamide
SMILESCOc1ccc(Nc2cc(-c3cccc(C(=O)Nc4ccc5c(c4)CC(=O)N5)c3)cn3ncnc23)nc1OC
InChIInChI=1S/C28H23N7O4/c1-38-23-8-9-24(34-28(23)39-2)32-22-12-19(14-35-26(22)29-15-30-35)16-4-3-5-17(10-16)27(37)31-20-6-7-21-18(11-20)13-25(36)33-21/h3-12,14-15H,13H2,1-2H3,(H,31,37)(H,32,34)(H,33,36)
InChIKeyAPRPDHUKAIKJMV-UHFFFAOYSA-N
MW521.54 g/mol
LogP4.30
Rot. Bonds7

About 3-[8-[(5,6-dimethoxy-2-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-N-(2-oxo-1,3-dihydroindol-5-yl)benzamide

3-[8-[(5,6-dimethoxy-2-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-N-(2-oxo-1,3-dihydroindol-5-yl)benzamide (PubChem CID 71074131) has the molecular formula C28H23N7O4 and a molecular weight of 521.54 g/mol. Its IUPAC name is 3-[8-[(5,6-dimethoxy-2-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-N-(2-oxo-1,3-dihydroindol-5-yl)benzamide.

Molecular Properties

Compound Name3-[8-[(5,6-dimethoxy-2-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-N-(2-oxo-1,3-dihydroindol-5-yl)benzamide
PubChem CID71074131
Molecular FormulaC28H23N7O4
Molecular Weight521.54 g/mol
Exact Mass521.18
IUPAC Name3-[8-[(5,6-dimethoxy-2-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-N-(2-oxo-1,3-dihydroindol-5-yl)benzamide
SMILESCOc1ccc(Nc2cc(-c3cccc(C(=O)Nc4ccc5c(c4)CC(=O)N5)c3)cn3ncnc23)nc1OC
InChIInChI=1S/C28H23N7O4/c1-38-23-8-9-24(34-28(23)39-2)32-22-12-19(14-35-26(22)29-15-30-35)16-4-3-5-17(10-16)27(37)31-20-6-7-21-18(11-20)13-25(36)33-21/h3-12,14-15H,13H2,1-2H3,(H,31,37)(H,32,34)(H,33,36)
InChIKeyAPRPDHUKAIKJMV-UHFFFAOYSA-N
XLogP4.30
TPSA131.77 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.54
LogP ≤ 54.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 3-[8-[(5,6-dimethoxy-2-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-N-(2-oxo-1,3-dihydroindol-5-yl)benzamide 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-[8-[(5,6-dimethoxy-2-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-N-(2-oxo-1,3-dihydroindol-5-yl)benzamide?
The IUPAC name of 3-[8-[(5,6-dimethoxy-2-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-N-(2-oxo-1,3-dihydroindol-5-yl)benzamide (CID 71074131) is 3-[8-[(5,6-dimethoxy-2-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-N-(2-oxo-1,3-dihydroindol-5-yl)benzamide.
What is the SMILES notation for 3-[8-[(5,6-dimethoxy-2-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-N-(2-oxo-1,3-dihydroindol-5-yl)benzamide?
The canonical SMILES for 3-[8-[(5,6-dimethoxy-2-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-N-(2-oxo-1,3-dihydroindol-5-yl)benzamide is COc1ccc(Nc2cc(-c3cccc(C(=O)Nc4ccc5c(c4)CC(=O)N5)c3)cn3ncnc23)nc1OC.
What is the InChIKey of 3-[8-[(5,6-dimethoxy-2-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-N-(2-oxo-1,3-dihydroindol-5-yl)benzamide?
The InChIKey is APRPDHUKAIKJMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N7O4/c1-38-23-8-9-24(34-28(23)39-2)32-22-12-19(14-35-26(22)29-15-30-35)16-4-3-5-17(10-16)27(37)31-20-6-7-21-18(11-20)13-25(36)33-21/h3-12,14-15H,13H2,1-2H3,(H,31,37)(H,32,34)(H,33,36).
What are the key properties of 3-[8-[(5,6-dimethoxy-2-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-N-(2-oxo-1,3-dihydroindol-5-yl)benzamide?
3-[8-[(5,6-dimethoxy-2-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-N-(2-oxo-1,3-dihydroindol-5-yl)benzamide has a molecular weight of 521.54 g/mol, XLogP of 4.30, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[8-[(5,6-dimethoxy-2-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-N-(2-oxo-1,3-dihydroindol-5-yl)benzamide is sourced from PubChem (CID 71074131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).