2-[butyl-[[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methyl]amino]ethanol

C20H25N3O — CID 24856413

IUPAC2-[butyl-[[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methyl]amino]ethanol
SMILESCCCCN(CCO)Cc1ccc(-c2ccnc3[nH]ccc23)cc1
InChIInChI=1S/C20H25N3O/c1-2-3-12-23(13-14-24)15-16-4-6-17(7-5-16)18-8-10-21-20-19(18)9-11-22-20/h4-11,24H,2-3,12-15H2,1H3,(H,21,22)
InChIKeyQRDPXMWBRFYGCJ-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.82
Rot. Bonds8

About 2-[butyl-[[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methyl]amino]ethanol

2-[butyl-[[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methyl]amino]ethanol (PubChem CID 24856413) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is 2-[butyl-[[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methyl]amino]ethanol.

Molecular Properties

Compound Name2-[butyl-[[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methyl]amino]ethanol
PubChem CID24856413
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name2-[butyl-[[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methyl]amino]ethanol
SMILESCCCCN(CCO)Cc1ccc(-c2ccnc3[nH]ccc23)cc1
InChIInChI=1S/C20H25N3O/c1-2-3-12-23(13-14-24)15-16-4-6-17(7-5-16)18-8-10-21-20-19(18)9-11-22-20/h4-11,24H,2-3,12-15H2,1H3,(H,21,22)
InChIKeyQRDPXMWBRFYGCJ-UHFFFAOYSA-N
XLogP3.82
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-N-(2-methoxyethyl)-N-[[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methyl]ethanamine
CID 24857246
N-ethyl-2-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]acetamide
CID 56893507
4-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridine
CID 57482994
1-butyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]urea
CID 175807595
2-[butyl-[[6-(methylamino)-3-pyridinyl]methyl]amino]ethanol
CID 62184221
4-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
CID 66827127
N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]acetamide
CID 11999608
[5-[(dimethylamino)methyl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methanol
CID 166613761
1-ethyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]urea
CID 175807775
4-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzoic acid
CID 69192349
2-[butyl-[(3,4-dichlorophenyl)methyl]amino]ethanol
CID 60689446
4-[4-(1,3-dihydroisoindol-2-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine
CID 24857728

Frequently Asked Questions

What is the IUPAC name of 2-[butyl-[[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methyl]amino]ethanol?
The IUPAC name of 2-[butyl-[[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methyl]amino]ethanol (CID 24856413) is 2-[butyl-[[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methyl]amino]ethanol.
What is the SMILES notation for 2-[butyl-[[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methyl]amino]ethanol?
The canonical SMILES for 2-[butyl-[[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methyl]amino]ethanol is CCCCN(CCO)Cc1ccc(-c2ccnc3[nH]ccc23)cc1.
What is the InChIKey of 2-[butyl-[[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methyl]amino]ethanol?
The InChIKey is QRDPXMWBRFYGCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-2-3-12-23(13-14-24)15-16-4-6-17(7-5-16)18-8-10-21-20-19(18)9-11-22-20/h4-11,24H,2-3,12-15H2,1H3,(H,21,22).
What are the key properties of 2-[butyl-[[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methyl]amino]ethanol?
2-[butyl-[[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methyl]amino]ethanol has a molecular weight of 323.44 g/mol, XLogP of 3.82, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl-[[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methyl]amino]ethanol is sourced from PubChem (CID 24856413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).