2-methyl-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-5-amine

C16H15N5 — CID 70866005

IUPAC2-methyl-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-5-amine
SMILESCc1cc2cc(NCc3cnc4[nH]ccc4c3)cnc2[nH]1
InChIInChI=1S/C16H15N5/c1-10-4-13-6-14(9-20-16(13)21-10)18-7-11-5-12-2-3-17-15(12)19-8-11/h2-6,8-9,18H,7H2,1H3,(H,17,19)(H,20,21)
InChIKeyAXNARSGRHGWZCK-UHFFFAOYSA-N
MW277.33 g/mol
LogP3.36
Rot. Bonds3

About 2-methyl-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-5-amine

2-methyl-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-5-amine (PubChem CID 70866005) has the molecular formula C16H15N5 and a molecular weight of 277.33 g/mol. Its IUPAC name is 2-methyl-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-5-amine.

Molecular Properties

Compound Name2-methyl-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-5-amine
PubChem CID70866005
Molecular FormulaC16H15N5
Molecular Weight277.33 g/mol
Exact Mass277.13
IUPAC Name2-methyl-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-5-amine
SMILESCc1cc2cc(NCc3cnc4[nH]ccc4c3)cnc2[nH]1
InChIInChI=1S/C16H15N5/c1-10-4-13-6-14(9-20-16(13)21-10)18-7-11-5-12-2-3-17-15(12)19-8-11/h2-6,8-9,18H,7H2,1H3,(H,17,19)(H,20,21)
InChIKeyAXNARSGRHGWZCK-UHFFFAOYSA-N
XLogP3.36
TPSA69.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-methyl-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-5-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 2-methyl-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-5-amine?
The IUPAC name of 2-methyl-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-5-amine (CID 70866005) is 2-methyl-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-5-amine.
What is the SMILES notation for 2-methyl-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-5-amine?
The canonical SMILES for 2-methyl-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-5-amine is Cc1cc2cc(NCc3cnc4[nH]ccc4c3)cnc2[nH]1.
What is the InChIKey of 2-methyl-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-5-amine?
The InChIKey is AXNARSGRHGWZCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5/c1-10-4-13-6-14(9-20-16(13)21-10)18-7-11-5-12-2-3-17-15(12)19-8-11/h2-6,8-9,18H,7H2,1H3,(H,17,19)(H,20,21).
What are the key properties of 2-methyl-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-5-amine?
2-methyl-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-5-amine has a molecular weight of 277.33 g/mol, XLogP of 3.36, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-5-amine is sourced from PubChem (CID 70866005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).