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

C19H17N5O2 — CID 118709569

IUPAC5-[3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-2-amine
SMILESCOc1ccc(-c2c[nH]c3ncc(-c4cnc(N)nc4)cc23)cc1OC
InChIInChI=1S/C19H17N5O2/c1-25-16-4-3-11(6-17(16)26-2)15-10-22-18-14(15)5-12(7-21-18)13-8-23-19(20)24-9-13/h3-10H,1-2H3,(H,21,22)(H2,20,23,24)
InChIKeyIYUUIKWHLWRCEU-UHFFFAOYSA-N
MW347.38 g/mol
LogP3.29
Rot. Bonds4

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

5-[3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-2-amine (PubChem CID 118709569) has the molecular formula C19H17N5O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is 5-[3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-2-amine
PubChem CID118709569
Molecular FormulaC19H17N5O2
Molecular Weight347.38 g/mol
Exact Mass347.14
IUPAC Name5-[3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-2-amine
SMILESCOc1ccc(-c2c[nH]c3ncc(-c4cnc(N)nc4)cc23)cc1OC
InChIInChI=1S/C19H17N5O2/c1-25-16-4-3-11(6-17(16)26-2)15-10-22-18-14(15)5-12(7-21-18)13-8-23-19(20)24-9-13/h3-10H,1-2H3,(H,21,22)(H2,20,23,24)
InChIKeyIYUUIKWHLWRCEU-UHFFFAOYSA-N
XLogP3.29
TPSA98.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-2-amine?
The IUPAC name of 5-[3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-2-amine (CID 118709569) is 5-[3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-[3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-2-amine?
The canonical SMILES for 5-[3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-2-amine is COc1ccc(-c2c[nH]c3ncc(-c4cnc(N)nc4)cc23)cc1OC.
What is the InChIKey of 5-[3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-2-amine?
The InChIKey is IYUUIKWHLWRCEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2/c1-25-16-4-3-11(6-17(16)26-2)15-10-22-18-14(15)5-12(7-21-18)13-8-23-19(20)24-9-13/h3-10H,1-2H3,(H,21,22)(H2,20,23,24).
What are the key properties of 5-[3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-2-amine?
5-[3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-2-amine has a molecular weight of 347.38 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 6 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]pyrimidin-2-amine is sourced from PubChem (CID 118709569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).