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

C18H23N5O — CID 126924459

IUPAC2-[[1-[(2-methylpyrimidin-4-yl)methyl]pyrrolidin-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
SMILESCc1nccc(CN2CCCC2Cn2nc3c(cc2=O)CCC3)n1
InChIInChI=1S/C18H23N5O/c1-13-19-8-7-15(20-13)11-22-9-3-5-16(22)12-23-18(24)10-14-4-2-6-17(14)21-23/h7-8,10,16H,2-6,9,11-12H2,1H3
InChIKeySEEONAPYCZYOAG-UHFFFAOYSA-N
MW325.42 g/mol
LogP1.50
Rot. Bonds4

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

2-[[1-[(2-methylpyrimidin-4-yl)methyl]pyrrolidin-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one (PubChem CID 126924459) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is 2-[[1-[(2-methylpyrimidin-4-yl)methyl]pyrrolidin-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one.

Molecular Properties

Compound Name2-[[1-[(2-methylpyrimidin-4-yl)methyl]pyrrolidin-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
PubChem CID126924459
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name2-[[1-[(2-methylpyrimidin-4-yl)methyl]pyrrolidin-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
SMILESCc1nccc(CN2CCCC2Cn2nc3c(cc2=O)CCC3)n1
InChIInChI=1S/C18H23N5O/c1-13-19-8-7-15(20-13)11-22-9-3-5-16(22)12-23-18(24)10-14-4-2-6-17(14)21-23/h7-8,10,16H,2-6,9,11-12H2,1H3
InChIKeySEEONAPYCZYOAG-UHFFFAOYSA-N
XLogP1.50
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[1-(pyridazin-3-ylmethyl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126924880
2-[[1-(1,3-oxazol-2-ylmethyl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126924840
2-[[1-(1,2-oxazol-3-ylmethyl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126924938
2-[[1-[(2-cyclobutylpyrimidin-4-yl)methyl]pyrrolidin-2-yl]methyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one
CID 126925177
2-[[1-(cyclopentylmethyl)pyrrolidin-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126924590
2-[[1-[(3,5-difluorophenyl)methyl]pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126925013
2-[[1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126924363
2-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]oxazol-2-ylmethyl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126924912
2-[[1-[(1-methyl-2-oxo-4-pyridinyl)methyl]pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126924882
2-[[1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126924784
2-[[1-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126925034
2-[[1-[(5-cyclopropyl-1,3-oxazol-2-yl)methyl]pyrrolidin-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126924496

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[(2-methylpyrimidin-4-yl)methyl]pyrrolidin-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
The IUPAC name of 2-[[1-[(2-methylpyrimidin-4-yl)methyl]pyrrolidin-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one (CID 126924459) is 2-[[1-[(2-methylpyrimidin-4-yl)methyl]pyrrolidin-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one.
What is the SMILES notation for 2-[[1-[(2-methylpyrimidin-4-yl)methyl]pyrrolidin-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
The canonical SMILES for 2-[[1-[(2-methylpyrimidin-4-yl)methyl]pyrrolidin-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one is Cc1nccc(CN2CCCC2Cn2nc3c(cc2=O)CCC3)n1.
What is the InChIKey of 2-[[1-[(2-methylpyrimidin-4-yl)methyl]pyrrolidin-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
The InChIKey is SEEONAPYCZYOAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c1-13-19-8-7-15(20-13)11-22-9-3-5-16(22)12-23-18(24)10-14-4-2-6-17(14)21-23/h7-8,10,16H,2-6,9,11-12H2,1H3.
What are the key properties of 2-[[1-[(2-methylpyrimidin-4-yl)methyl]pyrrolidin-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
2-[[1-[(2-methylpyrimidin-4-yl)methyl]pyrrolidin-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one has a molecular weight of 325.42 g/mol, XLogP of 1.50, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[(2-methylpyrimidin-4-yl)methyl]pyrrolidin-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one is sourced from PubChem (CID 126924459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).