[6-methoxy-3-[2-(pyridin-3-ylamino)pyrimidin-4-yl]pyrazolo[1,5-b]pyridazin-2-yl]methanol

C17H15N7O2 — CID 155512387

IUPAC[6-methoxy-3-[2-(pyridin-3-ylamino)pyrimidin-4-yl]pyrazolo[1,5-b]pyridazin-2-yl]methanol
SMILESCOc1ccc2c(-c3ccnc(Nc4cccnc4)n3)c(CO)nn2n1
InChIInChI=1S/C17H15N7O2/c1-26-15-5-4-14-16(13(10-25)22-24(14)23-15)12-6-8-19-17(21-12)20-11-3-2-7-18-9-11/h2-9,25H,10H2,1H3,(H,19,20,21)
InChIKeyJKGWDZLEVNSNAG-UHFFFAOYSA-N
MW349.35 g/mol
LogP1.83
Rot. Bonds5

About [6-methoxy-3-[2-(pyridin-3-ylamino)pyrimidin-4-yl]pyrazolo[1,5-b]pyridazin-2-yl]methanol

[6-methoxy-3-[2-(pyridin-3-ylamino)pyrimidin-4-yl]pyrazolo[1,5-b]pyridazin-2-yl]methanol (PubChem CID 155512387) has the molecular formula C17H15N7O2 and a molecular weight of 349.35 g/mol. Its IUPAC name is [6-methoxy-3-[2-(pyridin-3-ylamino)pyrimidin-4-yl]pyrazolo[1,5-b]pyridazin-2-yl]methanol.

Molecular Properties

Compound Name[6-methoxy-3-[2-(pyridin-3-ylamino)pyrimidin-4-yl]pyrazolo[1,5-b]pyridazin-2-yl]methanol
PubChem CID155512387
Molecular FormulaC17H15N7O2
Molecular Weight349.35 g/mol
Exact Mass349.13
IUPAC Name[6-methoxy-3-[2-(pyridin-3-ylamino)pyrimidin-4-yl]pyrazolo[1,5-b]pyridazin-2-yl]methanol
SMILESCOc1ccc2c(-c3ccnc(Nc4cccnc4)n3)c(CO)nn2n1
InChIInChI=1S/C17H15N7O2/c1-26-15-5-4-14-16(13(10-25)22-24(14)23-15)12-6-8-19-17(21-12)20-11-3-2-7-18-9-11/h2-9,25H,10H2,1H3,(H,19,20,21)
InChIKeyJKGWDZLEVNSNAG-UHFFFAOYSA-N
XLogP1.83
TPSA110.35 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze [6-methoxy-3-[2-(pyridin-3-ylamino)pyrimidin-4-yl]pyrazolo[1,5-b]pyridazin-2-yl]methanol 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 [6-methoxy-3-[2-(pyridin-3-ylamino)pyrimidin-4-yl]pyrazolo[1,5-b]pyridazin-2-yl]methanol?
The IUPAC name of [6-methoxy-3-[2-(pyridin-3-ylamino)pyrimidin-4-yl]pyrazolo[1,5-b]pyridazin-2-yl]methanol (CID 155512387) is [6-methoxy-3-[2-(pyridin-3-ylamino)pyrimidin-4-yl]pyrazolo[1,5-b]pyridazin-2-yl]methanol.
What is the SMILES notation for [6-methoxy-3-[2-(pyridin-3-ylamino)pyrimidin-4-yl]pyrazolo[1,5-b]pyridazin-2-yl]methanol?
The canonical SMILES for [6-methoxy-3-[2-(pyridin-3-ylamino)pyrimidin-4-yl]pyrazolo[1,5-b]pyridazin-2-yl]methanol is COc1ccc2c(-c3ccnc(Nc4cccnc4)n3)c(CO)nn2n1.
What is the InChIKey of [6-methoxy-3-[2-(pyridin-3-ylamino)pyrimidin-4-yl]pyrazolo[1,5-b]pyridazin-2-yl]methanol?
The InChIKey is JKGWDZLEVNSNAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N7O2/c1-26-15-5-4-14-16(13(10-25)22-24(14)23-15)12-6-8-19-17(21-12)20-11-3-2-7-18-9-11/h2-9,25H,10H2,1H3,(H,19,20,21).
What are the key properties of [6-methoxy-3-[2-(pyridin-3-ylamino)pyrimidin-4-yl]pyrazolo[1,5-b]pyridazin-2-yl]methanol?
[6-methoxy-3-[2-(pyridin-3-ylamino)pyrimidin-4-yl]pyrazolo[1,5-b]pyridazin-2-yl]methanol has a molecular weight of 349.35 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methoxy-3-[2-(pyridin-3-ylamino)pyrimidin-4-yl]pyrazolo[1,5-b]pyridazin-2-yl]methanol is sourced from PubChem (CID 155512387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).