5-[3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridin-3-amine

C20H18N4O2 — CID 52950012

IUPAC5-[3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridin-3-amine
SMILESCOc1ccc(-c2c[nH]c3ncc(-c4cncc(N)c4)cc23)cc1OC
InChIInChI=1S/C20H18N4O2/c1-25-18-4-3-12(7-19(18)26-2)17-11-24-20-16(17)6-14(9-23-20)13-5-15(21)10-22-8-13/h3-11H,21H2,1-2H3,(H,23,24)
InChIKeyUOEZVMBYMMMIIY-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.89
Rot. Bonds4

About 5-[3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridin-3-amine

5-[3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridin-3-amine (PubChem CID 52950012) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is 5-[3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridin-3-amine.

Molecular Properties

Compound Name5-[3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridin-3-amine
PubChem CID52950012
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC Name5-[3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridin-3-amine
SMILESCOc1ccc(-c2c[nH]c3ncc(-c4cncc(N)c4)cc23)cc1OC
InChIInChI=1S/C20H18N4O2/c1-25-18-4-3-12(7-19(18)26-2)17-11-24-20-16(17)6-14(9-23-20)13-5-15(21)10-22-8-13/h3-11H,21H2,1-2H3,(H,23,24)
InChIKeyUOEZVMBYMMMIIY-UHFFFAOYSA-N
XLogP3.89
TPSA86.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridin-3-amine?
The IUPAC name of 5-[3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridin-3-amine (CID 52950012) is 5-[3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridin-3-amine.
What is the SMILES notation for 5-[3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridin-3-amine?
The canonical SMILES for 5-[3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridin-3-amine is COc1ccc(-c2c[nH]c3ncc(-c4cncc(N)c4)cc23)cc1OC.
What is the InChIKey of 5-[3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridin-3-amine?
The InChIKey is UOEZVMBYMMMIIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c1-25-18-4-3-12(7-19(18)26-2)17-11-24-20-16(17)6-14(9-23-20)13-5-15(21)10-22-8-13/h3-11H,21H2,1-2H3,(H,23,24).
What are the key properties of 5-[3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridin-3-amine?
5-[3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridin-3-amine has a molecular weight of 346.39 g/mol, XLogP of 3.89, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridin-3-amine is sourced from PubChem (CID 52950012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).