3-(3,4-dimethoxyphenyl)-5-(6-piperazin-1-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine

C24H25N5O2 — CID 177374379

IUPAC3-(3,4-dimethoxyphenyl)-5-(6-piperazin-1-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1ccc(-c2c[nH]c3ncc(-c4ccc(N5CCNCC5)nc4)cc23)cc1OC
InChIInChI=1S/C24H25N5O2/c1-30-21-5-3-16(12-22(21)31-2)20-15-28-24-19(20)11-18(14-27-24)17-4-6-23(26-13-17)29-9-7-25-8-10-29/h3-6,11-15,25H,7-10H2,1-2H3,(H,27,28)
InChIKeyFTVSHJTVHCOFQC-UHFFFAOYSA-N
MW415.50 g/mol
LogP3.72
Rot. Bonds5

About 3-(3,4-dimethoxyphenyl)-5-(6-piperazin-1-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine

3-(3,4-dimethoxyphenyl)-5-(6-piperazin-1-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 177374379) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-5-(6-piperazin-1-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-5-(6-piperazin-1-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID177374379
Molecular FormulaC24H25N5O2
Molecular Weight415.50 g/mol
Exact Mass415.20
IUPAC Name3-(3,4-dimethoxyphenyl)-5-(6-piperazin-1-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1ccc(-c2c[nH]c3ncc(-c4ccc(N5CCNCC5)nc4)cc23)cc1OC
InChIInChI=1S/C24H25N5O2/c1-30-21-5-3-16(12-22(21)31-2)20-15-28-24-19(20)11-18(14-27-24)17-4-6-23(26-13-17)29-9-7-25-8-10-29/h3-6,11-15,25H,7-10H2,1-2H3,(H,27,28)
InChIKeyFTVSHJTVHCOFQC-UHFFFAOYSA-N
XLogP3.72
TPSA75.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-5-(6-piperazin-1-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-5-(6-piperazin-1-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine (CID 177374379) is 3-(3,4-dimethoxyphenyl)-5-(6-piperazin-1-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-5-(6-piperazin-1-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-5-(6-piperazin-1-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine is COc1ccc(-c2c[nH]c3ncc(-c4ccc(N5CCNCC5)nc4)cc23)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-5-(6-piperazin-1-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is FTVSHJTVHCOFQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2/c1-30-21-5-3-16(12-22(21)31-2)20-15-28-24-19(20)11-18(14-27-24)17-4-6-23(26-13-17)29-9-7-25-8-10-29/h3-6,11-15,25H,7-10H2,1-2H3,(H,27,28).
What are the key properties of 3-(3,4-dimethoxyphenyl)-5-(6-piperazin-1-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine?
3-(3,4-dimethoxyphenyl)-5-(6-piperazin-1-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 415.50 g/mol, XLogP of 3.72, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-5-(6-piperazin-1-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 177374379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).