2-[[1-(5-chloropyrimidin-2-yl)pyrrolidin-2-yl]methyl]-6-cyclopropylpyridazin-3-one

C16H18ClN5O — CID 126923501

IUPAC2-[[1-(5-chloropyrimidin-2-yl)pyrrolidin-2-yl]methyl]-6-cyclopropylpyridazin-3-one
SMILESO=c1ccc(C2CC2)nn1CC1CCCN1c1ncc(Cl)cn1
InChIInChI=1S/C16H18ClN5O/c17-12-8-18-16(19-9-12)21-7-1-2-13(21)10-22-15(23)6-5-14(20-22)11-3-4-11/h5-6,8-9,11,13H,1-4,7,10H2
InChIKeyJQNJFUSLLJLIEH-UHFFFAOYSA-N
MW331.81 g/mol
LogP2.23
Rot. Bonds4

About 2-[[1-(5-chloropyrimidin-2-yl)pyrrolidin-2-yl]methyl]-6-cyclopropylpyridazin-3-one

2-[[1-(5-chloropyrimidin-2-yl)pyrrolidin-2-yl]methyl]-6-cyclopropylpyridazin-3-one (PubChem CID 126923501) has the molecular formula C16H18ClN5O and a molecular weight of 331.81 g/mol. Its IUPAC name is 2-[[1-(5-chloropyrimidin-2-yl)pyrrolidin-2-yl]methyl]-6-cyclopropylpyridazin-3-one.

Molecular Properties

Compound Name2-[[1-(5-chloropyrimidin-2-yl)pyrrolidin-2-yl]methyl]-6-cyclopropylpyridazin-3-one
PubChem CID126923501
Molecular FormulaC16H18ClN5O
Molecular Weight331.81 g/mol
Exact Mass331.12
IUPAC Name2-[[1-(5-chloropyrimidin-2-yl)pyrrolidin-2-yl]methyl]-6-cyclopropylpyridazin-3-one
SMILESO=c1ccc(C2CC2)nn1CC1CCCN1c1ncc(Cl)cn1
InChIInChI=1S/C16H18ClN5O/c17-12-8-18-16(19-9-12)21-7-1-2-13(21)10-22-15(23)6-5-14(20-22)11-3-4-11/h5-6,8-9,11,13H,1-4,7,10H2
InChIKeyJQNJFUSLLJLIEH-UHFFFAOYSA-N
XLogP2.23
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.81
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-cyclopropyl-2-[[1-(3-cyclopropylpyrazin-2-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923719
6-tert-butyl-2-[[1-(5-cyclopropylpyrimidin-2-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126924150
2-[[1-(5-cyclopropylpyrimidin-2-yl)pyrrolidin-2-yl]methyl]-6-pyridin-3-ylpyridazin-3-one
CID 126925926
6-cyclopropyl-2-[[1-(6-methylpyrazin-2-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923570
6-cyclopropyl-2-[[1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923564
6-cyclopropyl-2-[(1-furo[2,3-d]pyridazin-7-ylpyrrolidin-2-yl)methyl]pyridazin-3-one
CID 126923703
2-[[1-[(2-cyclobutylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]methyl]-6-cyclopropylpyridazin-3-one
CID 126923616
6-cyclopropyl-2-[[1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923552
N-cyclopentyl-2-[(3-cyclopropyl-6-oxopyridazin-1-yl)methyl]pyrrolidine-1-carboxamide
CID 126923428
6-cyclopropyl-2-[[1-(5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923706
6-cyclopropyl-2-[[1-(5-cyclopropylpyrimidin-2-yl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126927532
6-pyridin-4-yl-2-[(1-pyridin-4-ylpyrrolidin-2-yl)methyl]pyridazin-3-one
CID 126926091

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(5-chloropyrimidin-2-yl)pyrrolidin-2-yl]methyl]-6-cyclopropylpyridazin-3-one?
The IUPAC name of 2-[[1-(5-chloropyrimidin-2-yl)pyrrolidin-2-yl]methyl]-6-cyclopropylpyridazin-3-one (CID 126923501) is 2-[[1-(5-chloropyrimidin-2-yl)pyrrolidin-2-yl]methyl]-6-cyclopropylpyridazin-3-one.
What is the SMILES notation for 2-[[1-(5-chloropyrimidin-2-yl)pyrrolidin-2-yl]methyl]-6-cyclopropylpyridazin-3-one?
The canonical SMILES for 2-[[1-(5-chloropyrimidin-2-yl)pyrrolidin-2-yl]methyl]-6-cyclopropylpyridazin-3-one is O=c1ccc(C2CC2)nn1CC1CCCN1c1ncc(Cl)cn1.
What is the InChIKey of 2-[[1-(5-chloropyrimidin-2-yl)pyrrolidin-2-yl]methyl]-6-cyclopropylpyridazin-3-one?
The InChIKey is JQNJFUSLLJLIEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN5O/c17-12-8-18-16(19-9-12)21-7-1-2-13(21)10-22-15(23)6-5-14(20-22)11-3-4-11/h5-6,8-9,11,13H,1-4,7,10H2.
What are the key properties of 2-[[1-(5-chloropyrimidin-2-yl)pyrrolidin-2-yl]methyl]-6-cyclopropylpyridazin-3-one?
2-[[1-(5-chloropyrimidin-2-yl)pyrrolidin-2-yl]methyl]-6-cyclopropylpyridazin-3-one has a molecular weight of 331.81 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(5-chloropyrimidin-2-yl)pyrrolidin-2-yl]methyl]-6-cyclopropylpyridazin-3-one is sourced from PubChem (CID 126923501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).