2-[4-[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]oxolan-3-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one

C18H20N6O2 — CID 126939376

IUPAC2-[4-[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]oxolan-3-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
SMILESCc1cc(NC2COCC2n2nc3c(cc2=O)CCC3)n2nccc2n1
InChIInChI=1S/C18H20N6O2/c1-11-7-17(24-16(20-11)5-6-19-24)21-14-9-26-10-15(14)23-18(25)8-12-3-2-4-13(12)22-23/h5-8,14-15,21H,2-4,9-10H2,1H3
InChIKeyBBLAGURMOFEREO-UHFFFAOYSA-N
MW352.40 g/mol
LogP1.14
Rot. Bonds3

About 2-[4-[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]oxolan-3-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one

2-[4-[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]oxolan-3-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one (PubChem CID 126939376) has the molecular formula C18H20N6O2 and a molecular weight of 352.40 g/mol. Its IUPAC name is 2-[4-[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]oxolan-3-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one.

Molecular Properties

Compound Name2-[4-[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]oxolan-3-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
PubChem CID126939376
Molecular FormulaC18H20N6O2
Molecular Weight352.40 g/mol
Exact Mass352.16
IUPAC Name2-[4-[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]oxolan-3-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
SMILESCc1cc(NC2COCC2n2nc3c(cc2=O)CCC3)n2nccc2n1
InChIInChI=1S/C18H20N6O2/c1-11-7-17(24-16(20-11)5-6-19-24)21-14-9-26-10-15(14)23-18(25)8-12-3-2-4-13(12)22-23/h5-8,14-15,21H,2-4,9-10H2,1H3
InChIKeyBBLAGURMOFEREO-UHFFFAOYSA-N
XLogP1.14
TPSA86.34 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[4-[(5-methylpyrazin-2-yl)amino]oxolan-3-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126939335
2-[4-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]oxolan-3-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126939250
2-[4-[[4-(dimethylamino)pyrimidin-2-yl]amino]oxolan-3-yl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126939532
2-[4-(5,6,7,8-tetrahydrocinnolin-3-ylamino)oxolan-3-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126939372
2-[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)oxolan-3-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126939332
2-[4-(pyrazin-2-ylamino)oxolan-3-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126939235
2-[4-[(2-methylpyrido[2,3-d]pyrimidin-4-yl)amino]oxolan-3-yl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126939655
2-[4-[(4-methoxyphenyl)methylamino]oxolan-3-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126939365
3-[[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)oxolan-3-yl]amino]pyrazine-2-carbonitrile
CID 126939236
2-[[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)oxolan-3-yl]amino]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile
CID 126939329
2-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)oxolan-3-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126939351
2-[4-(cyclobutylamino)oxolan-3-yl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126939561

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]oxolan-3-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
The IUPAC name of 2-[4-[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]oxolan-3-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one (CID 126939376) is 2-[4-[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]oxolan-3-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one.
What is the SMILES notation for 2-[4-[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]oxolan-3-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
The canonical SMILES for 2-[4-[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]oxolan-3-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one is Cc1cc(NC2COCC2n2nc3c(cc2=O)CCC3)n2nccc2n1.
What is the InChIKey of 2-[4-[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]oxolan-3-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
The InChIKey is BBLAGURMOFEREO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O2/c1-11-7-17(24-16(20-11)5-6-19-24)21-14-9-26-10-15(14)23-18(25)8-12-3-2-4-13(12)22-23/h5-8,14-15,21H,2-4,9-10H2,1H3.
What are the key properties of 2-[4-[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]oxolan-3-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
2-[4-[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]oxolan-3-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one has a molecular weight of 352.40 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]oxolan-3-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one is sourced from PubChem (CID 126939376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).