Irak4-IN-11

Name: Irak4-IN-11 — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₆H₁₉N₇O — CID 163409097

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC6-methyl-4-[(1-methylcyclopropyl)amino]-2-[(1-methylpyrazol-4-yl)amino]pyrido[4,3-d]pyrimidin-5-one

SMILESCn1cc(Nc2nc(NC3(C)CC3)c3c(=O)n(C)ccc3n2)cn1

InChIInChI=1S/C16H19N7O/c1-16(5-6-16)21-13-12-11(4-7-22(2)14(12)24)19-15(20-13)18-10-8-17-23(3)9-10/h4,7-9H,5-6H2,1-3H3,(H2,18,19,20,21)

InChIKeyYBWPAUYJHMYTBP-UHFFFAOYSA-N

MW325.38 g/mol

LogP1.77

Rot. Bonds4

About Irak4-IN-11

Irak4-IN-11 (PubChem CID 163409097) has the molecular formula C₁₆H₁₉N₇O and a molecular weight of 325.38 g/mol. Its IUPAC name is 6-methyl-4-[(1-methylcyclopropyl)amino]-2-[(1-methylpyrazol-4-yl)amino]pyrido[4,3-d]pyrimidin-5-one.

Molecular Properties

Compound Name	Irak4-IN-11
PubChem CID	163409097
Molecular Formula	C₁₆H₁₉N₇O
Molecular Weight	325.38 g/mol
Exact Mass	325.17
IUPAC Name	6-methyl-4-[(1-methylcyclopropyl)amino]-2-[(1-methylpyrazol-4-yl)amino]pyrido[4,3-d]pyrimidin-5-one
SMILES	Cn1cc(Nc2nc(NC3(C)CC3)c3c(=O)n(C)ccc3n2)cn1
InChI	InChI=1S/C16H19N7O/c1-16(5-6-16)21-13-12-11(4-7-22(2)14(12)24)19-15(20-13)18-10-8-17-23(3)9-10/h4,7-9H,5-6H2,1-3H3,(H2,18,19,20,21)
InChIKey	YBWPAUYJHMYTBP-UHFFFAOYSA-N
XLogP	1.77
TPSA	89.66 Å²
H-Bond Donors	2
H-Bond Acceptors	8
Rotatable Bonds	4
Heavy Atoms	24
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	325.38
LogP ≤ 5	1.77
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of Irak4-IN-11?

The IUPAC name of Irak4-IN-11 (CID 163409097) is 6-methyl-4-[(1-methylcyclopropyl)amino]-2-[(1-methylpyrazol-4-yl)amino]pyrido[4,3-d]pyrimidin-5-one.

What is the SMILES notation for Irak4-IN-11?

The canonical SMILES for Irak4-IN-11 is Cn1cc(Nc2nc(NC3(C)CC3)c3c(=O)n(C)ccc3n2)cn1.

What is the InChIKey of Irak4-IN-11?

The InChIKey is YBWPAUYJHMYTBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7O/c1-16(5-6-16)21-13-12-11(4-7-22(2)14(12)24)19-15(20-13)18-10-8-17-23(3)9-10/h4,7-9H,5-6H2,1-3H3,(H2,18,19,20,21).

What are the key properties of Irak4-IN-11?

Irak4-IN-11 has a molecular weight of 325.38 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for Irak4-IN-11 is sourced from PubChem (CID 163409097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 163409097 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.