6-cyclopropyl-2-[[1-(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)azetidin-3-yl]methyl]pyridazin-3-one

C18H20N6O — CID 126927588

IUPAC6-cyclopropyl-2-[[1-(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)azetidin-3-yl]methyl]pyridazin-3-one
SMILESCc1cc2ncnc(N3CC(Cn4nc(C5CC5)ccc4=O)C3)c2[nH]1
InChIInChI=1S/C18H20N6O/c1-11-6-15-17(21-11)18(20-10-19-15)23-7-12(8-23)9-24-16(25)5-4-14(22-24)13-2-3-13/h4-6,10,12-13,21H,2-3,7-9H2,1H3
InChIKeyCSUMJAJJQMPFHR-UHFFFAOYSA-N
MW336.40 g/mol
LogP1.84
Rot. Bonds4

About 6-cyclopropyl-2-[[1-(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)azetidin-3-yl]methyl]pyridazin-3-one

6-cyclopropyl-2-[[1-(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)azetidin-3-yl]methyl]pyridazin-3-one (PubChem CID 126927588) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is 6-cyclopropyl-2-[[1-(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)azetidin-3-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-cyclopropyl-2-[[1-(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)azetidin-3-yl]methyl]pyridazin-3-one
PubChem CID126927588
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC Name6-cyclopropyl-2-[[1-(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)azetidin-3-yl]methyl]pyridazin-3-one
SMILESCc1cc2ncnc(N3CC(Cn4nc(C5CC5)ccc4=O)C3)c2[nH]1
InChIInChI=1S/C18H20N6O/c1-11-6-15-17(21-11)18(20-10-19-15)23-7-12(8-23)9-24-16(25)5-4-14(22-24)13-2-3-13/h4-6,10,12-13,21H,2-3,7-9H2,1H3
InChIKeyCSUMJAJJQMPFHR-UHFFFAOYSA-N
XLogP1.84
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-cyclopropyl-2-[[1-(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)azetidin-3-yl]methyl]pyridazin-3-one with MolForge

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Related Compounds

6-cyclopropyl-2-[[1-(5,6-dimethylpyrrolo[3,2-d]pyrimidin-4-yl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126927589
6-cyclopropyl-2-[[1-(3-methylquinoxalin-2-yl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126927356
6-cyclopropyl-2-[(1-pyrimidin-2-ylazetidin-3-yl)methyl]pyridazin-3-one
CID 126927310
6-cyclopropyl-2-[[1-(5-cyclopropylpyrimidin-2-yl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126927532
2-[3-[(3-cyclopropyl-6-oxopyridazin-1-yl)methyl]azetidin-1-yl]pyridine-3-carbonitrile
CID 126927306
6-cyclopropyl-2-[[1-[(5-methyl-1H-pyrazol-3-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one
CID 126927480
6-cyclopropyl-2-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126927367
6-cyclopropyl-2-[[1-(pyrimidin-2-ylmethyl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126927427
6-methyl-4-[2-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-5H-pyrrolo[3,2-d]pyrimidine
CID 126934198
2-[[1-(3-cyclopropylpyrazin-2-yl)azetidin-3-yl]methyl]-6-methylpyridazin-3-one
CID 126927153
6-tert-butyl-2-[(1-pyrido[3,4-d]pyrimidin-4-ylazetidin-3-yl)methyl]pyridazin-3-one
CID 126928070
6-cyclopropyl-2-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]pyridazin-3-one
CID 126865291

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-2-[[1-(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)azetidin-3-yl]methyl]pyridazin-3-one?
The IUPAC name of 6-cyclopropyl-2-[[1-(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)azetidin-3-yl]methyl]pyridazin-3-one (CID 126927588) is 6-cyclopropyl-2-[[1-(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)azetidin-3-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 6-cyclopropyl-2-[[1-(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)azetidin-3-yl]methyl]pyridazin-3-one?
The canonical SMILES for 6-cyclopropyl-2-[[1-(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)azetidin-3-yl]methyl]pyridazin-3-one is Cc1cc2ncnc(N3CC(Cn4nc(C5CC5)ccc4=O)C3)c2[nH]1.
What is the InChIKey of 6-cyclopropyl-2-[[1-(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)azetidin-3-yl]methyl]pyridazin-3-one?
The InChIKey is CSUMJAJJQMPFHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O/c1-11-6-15-17(21-11)18(20-10-19-15)23-7-12(8-23)9-24-16(25)5-4-14(22-24)13-2-3-13/h4-6,10,12-13,21H,2-3,7-9H2,1H3.
What are the key properties of 6-cyclopropyl-2-[[1-(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)azetidin-3-yl]methyl]pyridazin-3-one?
6-cyclopropyl-2-[[1-(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)azetidin-3-yl]methyl]pyridazin-3-one has a molecular weight of 336.40 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2-[[1-(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)azetidin-3-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 126927588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).