2-[[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)azetidin-3-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one

C19H23N5O — CID 126928240

IUPAC2-[[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)azetidin-3-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
SMILESCc1cc(N2CC(Cn3nc4c(cc3=O)CCC4)C2)nc(C2CC2)n1
InChIInChI=1S/C19H23N5O/c1-12-7-17(21-19(20-12)14-5-6-14)23-9-13(10-23)11-24-18(25)8-15-3-2-4-16(15)22-24/h7-8,13-14H,2-6,9-11H2,1H3
InChIKeyMEFYAFZRBZBVCY-UHFFFAOYSA-N
MW337.43 g/mol
LogP1.84
Rot. Bonds4

About 2-[[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)azetidin-3-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one

2-[[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)azetidin-3-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one (PubChem CID 126928240) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 2-[[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)azetidin-3-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one.

Molecular Properties

Compound Name2-[[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)azetidin-3-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
PubChem CID126928240
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name2-[[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)azetidin-3-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
SMILESCc1cc(N2CC(Cn3nc4c(cc3=O)CCC4)C2)nc(C2CC2)n1
InChIInChI=1S/C19H23N5O/c1-12-7-17(21-19(20-12)14-5-6-14)23-9-13(10-23)11-24-18(25)8-15-3-2-4-16(15)22-24/h7-8,13-14H,2-6,9-11H2,1H3
InChIKeyMEFYAFZRBZBVCY-UHFFFAOYSA-N
XLogP1.84
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)azetidin-3-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one with MolForge

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Related Compounds

2-[[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126924811
2-[[1-(2-cyclobutylpyrimidin-4-yl)azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126928866
6-tert-butyl-2-[[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126927797
2-[[1-(1-methyl-6-oxopyridazin-3-yl)azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126928901
2-[[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)azetidin-3-yl]methyl]-6-pyridin-3-ylpyridazin-3-one
CID 126929388
2-[(1-pyrimidin-2-ylazetidin-3-yl)methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126928177
2-[[1-(2-methylquinolin-4-yl)azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126928835
2-[[1-(4,5-dimethyl-1,3-thiazol-2-yl)azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126928893
2-[[1-[6-(dimethylamino)pyrimidin-4-yl]azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126928656
2-[[1-[6-(trifluoromethyl)pyridazin-3-yl]azetidin-3-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126928260
2-[[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126865085
2-[(1-pyrimidin-2-ylazetidin-3-yl)methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126928592

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)azetidin-3-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
The IUPAC name of 2-[[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)azetidin-3-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one (CID 126928240) is 2-[[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)azetidin-3-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one.
What is the SMILES notation for 2-[[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)azetidin-3-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
The canonical SMILES for 2-[[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)azetidin-3-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one is Cc1cc(N2CC(Cn3nc4c(cc3=O)CCC4)C2)nc(C2CC2)n1.
What is the InChIKey of 2-[[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)azetidin-3-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
The InChIKey is MEFYAFZRBZBVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-12-7-17(21-19(20-12)14-5-6-14)23-9-13(10-23)11-24-18(25)8-15-3-2-4-16(15)22-24/h7-8,13-14H,2-6,9-11H2,1H3.
What are the key properties of 2-[[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)azetidin-3-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
2-[[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)azetidin-3-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one has a molecular weight of 337.43 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)azetidin-3-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one is sourced from PubChem (CID 126928240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).