7-(4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-yl)-2-oxa-7-azaspiro[4.4]nonane

C17H18N6O — CID 164610754

IUPAC7-(4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-yl)-2-oxa-7-azaspiro[4.4]nonane
SMILESc1cnn2ncc(-c3ccnc(N4CCC5(CCOC5)C4)n3)c2c1
InChIInChI=1S/C17H18N6O/c1-2-15-13(10-20-23(15)19-6-1)14-3-7-18-16(21-14)22-8-4-17(11-22)5-9-24-12-17/h1-3,6-7,10H,4-5,8-9,11-12H2
InChIKeyGSMMCQNPLIJBQT-UHFFFAOYSA-N
MW322.37 g/mol
LogP1.80
Rot. Bonds2

About 7-(4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-yl)-2-oxa-7-azaspiro[4.4]nonane

7-(4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-yl)-2-oxa-7-azaspiro[4.4]nonane (PubChem CID 164610754) has the molecular formula C17H18N6O and a molecular weight of 322.37 g/mol. Its IUPAC name is 7-(4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-yl)-2-oxa-7-azaspiro[4.4]nonane.

Molecular Properties

Compound Name7-(4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-yl)-2-oxa-7-azaspiro[4.4]nonane
PubChem CID164610754
Molecular FormulaC17H18N6O
Molecular Weight322.37 g/mol
Exact Mass322.15
IUPAC Name7-(4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-yl)-2-oxa-7-azaspiro[4.4]nonane
SMILESc1cnn2ncc(-c3ccnc(N4CCC5(CCOC5)C4)n3)c2c1
InChIInChI=1S/C17H18N6O/c1-2-15-13(10-20-23(15)19-6-1)14-3-7-18-16(21-14)22-8-4-17(11-22)5-9-24-12-17/h1-3,6-7,10H,4-5,8-9,11-12H2
InChIKeyGSMMCQNPLIJBQT-UHFFFAOYSA-N
XLogP1.80
TPSA68.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-methyl-N-phenyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine
CID 6539360
Dyrk1-IN-1
CID 138454302
3-[2-[(3S)-3-fluoropyrrolidin-1-yl]pyrimidin-4-yl]pyrazolo[1,5-b]pyridazine
CID 138454306
6-[7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazin-4-yl]-7,8-dihydro-5H-1,6-naphthyridine
CID 91799413
Pyrazolo[1,5-b]pyridazine deriv. 32
CID 91895662
4-Pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine
CID 17965423
5-[2-(Oxan-4-yl)pyrazol-3-yl]-7-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 155512654
1-(4-Pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-yl)-6-oxa-1-azaspiro[3.3]heptane
CID 164609415
N,N-dimethyl-1-(4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-yl)pyrrolidin-3-amine
CID 164610050
3-[2-(3-Methylpyrrolidin-1-yl)pyrimidin-4-yl]pyrazolo[1,5-b]pyridazine
CID 164610228
N,N-dimethyl-4-(5-methylpyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-amine
CID 164612201
3-[2-[(3R)-3-fluoropyrrolidin-1-yl]pyrimidin-4-yl]pyrazolo[1,5-b]pyridazine
CID 164613427

Frequently Asked Questions

What is the IUPAC name of 7-(4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-yl)-2-oxa-7-azaspiro[4.4]nonane?
The IUPAC name of 7-(4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-yl)-2-oxa-7-azaspiro[4.4]nonane (CID 164610754) is 7-(4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-yl)-2-oxa-7-azaspiro[4.4]nonane.
What is the SMILES notation for 7-(4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-yl)-2-oxa-7-azaspiro[4.4]nonane?
The canonical SMILES for 7-(4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-yl)-2-oxa-7-azaspiro[4.4]nonane is c1cnn2ncc(-c3ccnc(N4CCC5(CCOC5)C4)n3)c2c1.
What is the InChIKey of 7-(4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-yl)-2-oxa-7-azaspiro[4.4]nonane?
The InChIKey is GSMMCQNPLIJBQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O/c1-2-15-13(10-20-23(15)19-6-1)14-3-7-18-16(21-14)22-8-4-17(11-22)5-9-24-12-17/h1-3,6-7,10H,4-5,8-9,11-12H2.
What are the key properties of 7-(4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-yl)-2-oxa-7-azaspiro[4.4]nonane?
7-(4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-yl)-2-oxa-7-azaspiro[4.4]nonane has a molecular weight of 322.37 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-yl)-2-oxa-7-azaspiro[4.4]nonane is sourced from PubChem (CID 164610754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).