2-[6-[[2-(2-chloro-6-fluorophenyl)-5-hydroxy-6H-pyrrolo[3,4-b]pyridin-4-yl]amino]-3-pyridinyl]-N-methyl-N-piperidin-4-ylacetamide

C26H26ClFN6O2 — CID 137019721

IUPAC2-[6-[[2-(2-chloro-6-fluorophenyl)-5-hydroxy-6H-pyrrolo[3,4-b]pyridin-4-yl]amino]-3-pyridinyl]-N-methyl-N-piperidin-4-ylacetamide
SMILESCN(C(=O)Cc1ccc(Nc2cc(-c3c(F)cccc3Cl)nc3c[nH]c(O)c23)nc1)C1CCNCC1
InChIInChI=1S/C26H26ClFN6O2/c1-34(16-7-9-29-10-8-16)23(35)11-15-5-6-22(30-13-15)33-20-12-19(24-17(27)3-2-4-18(24)28)32-21-14-31-26(36)25(20)21/h2-6,12-14,16,29,31,36H,7-11H2,1H3,(H,30,33)
InChIKeyLPUHMWIBXIXONF-UHFFFAOYSA-N
MW508.99 g/mol
LogP4.62
Rot. Bonds6

About 2-[6-[[2-(2-chloro-6-fluorophenyl)-5-hydroxy-6H-pyrrolo[3,4-b]pyridin-4-yl]amino]-3-pyridinyl]-N-methyl-N-piperidin-4-ylacetamide

2-[6-[[2-(2-chloro-6-fluorophenyl)-5-hydroxy-6H-pyrrolo[3,4-b]pyridin-4-yl]amino]-3-pyridinyl]-N-methyl-N-piperidin-4-ylacetamide (PubChem CID 137019721) has the molecular formula C26H26ClFN6O2 and a molecular weight of 508.99 g/mol. Its IUPAC name is 2-[6-[[2-(2-chloro-6-fluorophenyl)-5-hydroxy-6H-pyrrolo[3,4-b]pyridin-4-yl]amino]-3-pyridinyl]-N-methyl-N-piperidin-4-ylacetamide.

Molecular Properties

Compound Name2-[6-[[2-(2-chloro-6-fluorophenyl)-5-hydroxy-6H-pyrrolo[3,4-b]pyridin-4-yl]amino]-3-pyridinyl]-N-methyl-N-piperidin-4-ylacetamide
PubChem CID137019721
Molecular FormulaC26H26ClFN6O2
Molecular Weight508.99 g/mol
Exact Mass508.18
IUPAC Name2-[6-[[2-(2-chloro-6-fluorophenyl)-5-hydroxy-6H-pyrrolo[3,4-b]pyridin-4-yl]amino]-3-pyridinyl]-N-methyl-N-piperidin-4-ylacetamide
SMILESCN(C(=O)Cc1ccc(Nc2cc(-c3c(F)cccc3Cl)nc3c[nH]c(O)c23)nc1)C1CCNCC1
InChIInChI=1S/C26H26ClFN6O2/c1-34(16-7-9-29-10-8-16)23(35)11-15-5-6-22(30-13-15)33-20-12-19(24-17(27)3-2-4-18(24)28)32-21-14-31-26(36)25(20)21/h2-6,12-14,16,29,31,36H,7-11H2,1H3,(H,30,33)
InChIKeyLPUHMWIBXIXONF-UHFFFAOYSA-N
XLogP4.62
TPSA106.17 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.99
LogP ≤ 54.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 2-[6-[[2-(2-chloro-6-fluorophenyl)-5-hydroxy-6H-pyrrolo[3,4-b]pyridin-4-yl]amino]-3-pyridinyl]-N-methyl-N-piperidin-4-ylacetamide with MolForge

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Related Compounds

tert-butyl 4-[[2-[5-[[2-(2,6-difluorophenyl)-5-hydroxy-6H-pyrrolo[3,4-d]pyrimidin-4-yl]amino]-2-pyridinyl]acetyl]amino]piperidine-1-carboxylate
CID 137018958
2-(2,6-difluorophenyl)-4-[[5-(4,4-dimethylpiperidin-1-yl)-2-pyridinyl]amino]-6H-pyrrolo[3,4-b]pyridin-5-ol
CID 137019916
2-(2,6-difluorophenyl)-4-[(5-fluoro-2-pyridinyl)amino]-6H-pyrrolo[3,4-b]pyridin-5-ol
CID 137023164
4-[[5-[tert-butyl(methyl)amino]-2-pyridinyl]amino]-2-(2,6-difluorophenyl)-6H-pyrrolo[3,4-b]pyridin-5-ol
CID 137028808
2-(2,6-difluorophenyl)-4-[(6-morpholin-4-yl-3-pyridinyl)amino]-6H-pyrrolo[3,4-b]pyridin-5-ol
CID 137030175
4-[[5-[(tert-butylamino)-hydroxymethyl]-2-pyridinyl]amino]-2-(2,6-difluorophenyl)-6H-pyrrolo[3,4-b]pyridin-5-ol
CID 137030187
6-[[2-(2,6-difluorophenyl)-5-hydroxy-6H-pyrrolo[3,4-b]pyridin-4-yl]amino]-N-(2-hydroxyethyl)pyridine-3-carboxamide
CID 137031010
2-(2-chloro-6-fluorophenyl)-4-[(5-methoxy-2-pyridinyl)amino]-6H-pyrrolo[3,4-b]pyridin-5-ol
CID 137031188
3,5-difluoro-4-[5-hydroxy-4-[(5-morpholin-4-yl-2-pyridinyl)amino]-6H-pyrrolo[3,4-b]pyridin-2-yl]benzamide
CID 137031388
6-[[2-(2,6-difluorophenyl)-5-hydroxy-6H-pyrrolo[3,4-b]pyridin-4-yl]amino]-N-propan-2-ylpyridine-3-carboxamide
CID 137031491
2-(2,6-difluorophenyl)-4-[[5-[2-(4,4-difluoropiperidin-1-yl)ethylamino]-2-pyridinyl]amino]-6H-pyrrolo[3,4-b]pyridin-5-ol
CID 137031728
1-[6-[[2-(2,6-difluorophenyl)-5-hydroxy-6H-pyrrolo[3,4-b]pyridin-4-yl]amino]-3-pyridinyl]-6,6-dimethylpiperidin-2-one
CID 137031821

Frequently Asked Questions

What is the IUPAC name of 2-[6-[[2-(2-chloro-6-fluorophenyl)-5-hydroxy-6H-pyrrolo[3,4-b]pyridin-4-yl]amino]-3-pyridinyl]-N-methyl-N-piperidin-4-ylacetamide?
The IUPAC name of 2-[6-[[2-(2-chloro-6-fluorophenyl)-5-hydroxy-6H-pyrrolo[3,4-b]pyridin-4-yl]amino]-3-pyridinyl]-N-methyl-N-piperidin-4-ylacetamide (CID 137019721) is 2-[6-[[2-(2-chloro-6-fluorophenyl)-5-hydroxy-6H-pyrrolo[3,4-b]pyridin-4-yl]amino]-3-pyridinyl]-N-methyl-N-piperidin-4-ylacetamide.
What is the SMILES notation for 2-[6-[[2-(2-chloro-6-fluorophenyl)-5-hydroxy-6H-pyrrolo[3,4-b]pyridin-4-yl]amino]-3-pyridinyl]-N-methyl-N-piperidin-4-ylacetamide?
The canonical SMILES for 2-[6-[[2-(2-chloro-6-fluorophenyl)-5-hydroxy-6H-pyrrolo[3,4-b]pyridin-4-yl]amino]-3-pyridinyl]-N-methyl-N-piperidin-4-ylacetamide is CN(C(=O)Cc1ccc(Nc2cc(-c3c(F)cccc3Cl)nc3c[nH]c(O)c23)nc1)C1CCNCC1.
What is the InChIKey of 2-[6-[[2-(2-chloro-6-fluorophenyl)-5-hydroxy-6H-pyrrolo[3,4-b]pyridin-4-yl]amino]-3-pyridinyl]-N-methyl-N-piperidin-4-ylacetamide?
The InChIKey is LPUHMWIBXIXONF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClFN6O2/c1-34(16-7-9-29-10-8-16)23(35)11-15-5-6-22(30-13-15)33-20-12-19(24-17(27)3-2-4-18(24)28)32-21-14-31-26(36)25(20)21/h2-6,12-14,16,29,31,36H,7-11H2,1H3,(H,30,33).
What are the key properties of 2-[6-[[2-(2-chloro-6-fluorophenyl)-5-hydroxy-6H-pyrrolo[3,4-b]pyridin-4-yl]amino]-3-pyridinyl]-N-methyl-N-piperidin-4-ylacetamide?
2-[6-[[2-(2-chloro-6-fluorophenyl)-5-hydroxy-6H-pyrrolo[3,4-b]pyridin-4-yl]amino]-3-pyridinyl]-N-methyl-N-piperidin-4-ylacetamide has a molecular weight of 508.99 g/mol, XLogP of 4.62, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[[2-(2-chloro-6-fluorophenyl)-5-hydroxy-6H-pyrrolo[3,4-b]pyridin-4-yl]amino]-3-pyridinyl]-N-methyl-N-piperidin-4-ylacetamide is sourced from PubChem (CID 137019721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).