3-[1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-5-yl]oxypropan-1-ol

C19H19N3O2 — CID 22477387

IUPAC3-[1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-5-yl]oxypropan-1-ol
SMILESCn1cc(-c2cc3cccnc3[nH]2)c2cc(OCCCO)ccc21
InChIInChI=1S/C19H19N3O2/c1-22-12-16(17-10-13-4-2-7-20-19(13)21-17)15-11-14(5-6-18(15)22)24-9-3-8-23/h2,4-7,10-12,23H,3,8-9H2,1H3,(H,20,21)
InChIKeyKERGNDFCTBAMGA-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.48
Rot. Bonds5

About 3-[1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-5-yl]oxypropan-1-ol

3-[1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-5-yl]oxypropan-1-ol (PubChem CID 22477387) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 3-[1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-5-yl]oxypropan-1-ol.

Molecular Properties

Compound Name3-[1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-5-yl]oxypropan-1-ol
PubChem CID22477387
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name3-[1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-5-yl]oxypropan-1-ol
SMILESCn1cc(-c2cc3cccnc3[nH]2)c2cc(OCCCO)ccc21
InChIInChI=1S/C19H19N3O2/c1-22-12-16(17-10-13-4-2-7-20-19(13)21-17)15-11-14(5-6-18(15)22)24-9-3-8-23/h2,4-7,10-12,23H,3,8-9H2,1H3,(H,20,21)
InChIKeyKERGNDFCTBAMGA-UHFFFAOYSA-N
XLogP3.48
TPSA63.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-5-yl]phenol
CID 175245340
6-methoxy-1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-5-ol
CID 22477195
1-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]-2-[5-methoxy-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-1-yl]ethanone
CID 22477359
N-(1-methoxypropan-2-yl)-2-[5-methoxy-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-1-yl]acetamide
CID 22477500
3-[4-(5-methoxy-1-methylindol-3-yl)-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl]propan-1-ol
CID 58382067
2-[5-methoxy-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-1-yl]-N-propylhexanamide
CID 67157973
2-[5-methoxy-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-1-yl]-1-piperidin-1-ylethanone
CID 22477443
N-[2-(dimethylamino)ethyl]-2-[5-methoxy-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-1-yl]-N-methylacetamide
CID 22477228
N-hexyl-2-[5-methoxy-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-1-yl]-N-methylacetamide
CID 67158084
N-cyclohexyl-2-[5-methoxy-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-1-yl]acetamide
CID 22477379
2-(5-methoxy-1-methylindol-3-yl)-N-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-4-amine
CID 22477297
N-(4-amino-2-methylbutan-2-yl)-2-[5-methoxy-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-1-yl]acetamide
CID 67157851

Frequently Asked Questions

What is the IUPAC name of 3-[1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-5-yl]oxypropan-1-ol?
The IUPAC name of 3-[1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-5-yl]oxypropan-1-ol (CID 22477387) is 3-[1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-5-yl]oxypropan-1-ol.
What is the SMILES notation for 3-[1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-5-yl]oxypropan-1-ol?
The canonical SMILES for 3-[1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-5-yl]oxypropan-1-ol is Cn1cc(-c2cc3cccnc3[nH]2)c2cc(OCCCO)ccc21.
What is the InChIKey of 3-[1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-5-yl]oxypropan-1-ol?
The InChIKey is KERGNDFCTBAMGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-22-12-16(17-10-13-4-2-7-20-19(13)21-17)15-11-14(5-6-18(15)22)24-9-3-8-23/h2,4-7,10-12,23H,3,8-9H2,1H3,(H,20,21).
What are the key properties of 3-[1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-5-yl]oxypropan-1-ol?
3-[1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-5-yl]oxypropan-1-ol has a molecular weight of 321.38 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-5-yl]oxypropan-1-ol is sourced from PubChem (CID 22477387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).