2-hydroxy-2-[5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N-methyl-N-propan-2-ylacetamide

C25H26N4O3 — CID 25156179

IUPAC2-hydroxy-2-[5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N-methyl-N-propan-2-ylacetamide
SMILESCOc1ccccc1-c1c[nH]c2ncc(-c3cncc(C(O)C(=O)N(C)C(C)C)c3)cc12
InChIInChI=1S/C25H26N4O3/c1-15(2)29(3)25(31)23(30)18-9-16(11-26-12-18)17-10-20-21(14-28-24(20)27-13-17)19-7-5-6-8-22(19)32-4/h5-15,23,30H,1-4H3,(H,27,28)
InChIKeyOCGQICXTHFYPDV-UHFFFAOYSA-N
MW430.51 g/mol
LogP4.20
Rot. Bonds6

About 2-hydroxy-2-[5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N-methyl-N-propan-2-ylacetamide

2-hydroxy-2-[5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N-methyl-N-propan-2-ylacetamide (PubChem CID 25156179) has the molecular formula C25H26N4O3 and a molecular weight of 430.51 g/mol. Its IUPAC name is 2-hydroxy-2-[5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N-methyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-hydroxy-2-[5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N-methyl-N-propan-2-ylacetamide
PubChem CID25156179
Molecular FormulaC25H26N4O3
Molecular Weight430.51 g/mol
Exact Mass430.20
IUPAC Name2-hydroxy-2-[5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N-methyl-N-propan-2-ylacetamide
SMILESCOc1ccccc1-c1c[nH]c2ncc(-c3cncc(C(O)C(=O)N(C)C(C)C)c3)cc12
InChIInChI=1S/C25H26N4O3/c1-15(2)29(3)25(31)23(30)18-9-16(11-26-12-18)17-10-20-21(14-28-24(20)27-13-17)19-7-5-6-8-22(19)32-4/h5-15,23,30H,1-4H3,(H,27,28)
InChIKeyOCGQICXTHFYPDV-UHFFFAOYSA-N
XLogP4.20
TPSA91.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-(2-methoxyphenyl)-1H-pyrrolo(2,3-b)pyridin-5-yl)-N,N-dimethylpyridine-3-carboxamide
CID 16750094
2-(4-(Butyl(methyl)amino)-6-(2-methoxyphenethylamino)-1,3,5-triazin-2-ylamino)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanamide
CID 23729140
2-(4-(2-Methoxyphenethylamino)-6-(methyl((S)-1-phenylethyl)amino)-1,3,5-triazin-2-ylamino)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanamide
CID 24767910
3-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide
CID 23625310
3-[1-(3-Hydroxy-propyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-4-(2-methoxy-phenyl)-pyrrole-2,5-dione
CID 10339551
2-(4-(4-amino-5-(3-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)phenyl)-N-(2-hydroxyethyl)acetamide
CID 10432113
4-[5-(2-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine
CID 72706458
1-[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-hydroxyethanone
CID 90412498
3-[4-amino-5-(3-methoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-(2-hydroxyethyl)cyclobutane-1-carboxamide
CID 44381436
[4-[2-[1-(2-hydroxyethyl)piperidin-4-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-3-methoxyphenyl]-pyrrolidin-1-ylmethanone
CID 168288718
1-[5-(2-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperidin-3-ol
CID 89914679
1-[5-(3-fluoro-5-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperidin-3-ol
CID 89915007

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-[5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N-methyl-N-propan-2-ylacetamide?
The IUPAC name of 2-hydroxy-2-[5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N-methyl-N-propan-2-ylacetamide (CID 25156179) is 2-hydroxy-2-[5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N-methyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-hydroxy-2-[5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N-methyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-hydroxy-2-[5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N-methyl-N-propan-2-ylacetamide is COc1ccccc1-c1c[nH]c2ncc(-c3cncc(C(O)C(=O)N(C)C(C)C)c3)cc12.
What is the InChIKey of 2-hydroxy-2-[5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N-methyl-N-propan-2-ylacetamide?
The InChIKey is OCGQICXTHFYPDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3/c1-15(2)29(3)25(31)23(30)18-9-16(11-26-12-18)17-10-20-21(14-28-24(20)27-13-17)19-7-5-6-8-22(19)32-4/h5-15,23,30H,1-4H3,(H,27,28).
What are the key properties of 2-hydroxy-2-[5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N-methyl-N-propan-2-ylacetamide?
2-hydroxy-2-[5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N-methyl-N-propan-2-ylacetamide has a molecular weight of 430.51 g/mol, XLogP of 4.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-[5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N-methyl-N-propan-2-ylacetamide is sourced from PubChem (CID 25156179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).