6-cyclopropyl-2-[[1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]pyridazin-3-one

C17H18F3N5O — CID 126923564

IUPAC6-cyclopropyl-2-[[1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]pyridazin-3-one
SMILESO=c1ccc(C2CC2)nn1CC1CCCN1c1cc(C(F)(F)F)ncn1
InChIInChI=1S/C17H18F3N5O/c18-17(19,20)14-8-15(22-10-21-14)24-7-1-2-12(24)9-25-16(26)6-5-13(23-25)11-3-4-11/h5-6,8,10-12H,1-4,7,9H2
InChIKeyDEPOXSYRCKSXTD-UHFFFAOYSA-N
MW365.36 g/mol
LogP2.60
Rot. Bonds4

About 6-cyclopropyl-2-[[1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]pyridazin-3-one

6-cyclopropyl-2-[[1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]pyridazin-3-one (PubChem CID 126923564) has the molecular formula C17H18F3N5O and a molecular weight of 365.36 g/mol. Its IUPAC name is 6-cyclopropyl-2-[[1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-cyclopropyl-2-[[1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]pyridazin-3-one
PubChem CID126923564
Molecular FormulaC17H18F3N5O
Molecular Weight365.36 g/mol
Exact Mass365.15
IUPAC Name6-cyclopropyl-2-[[1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]pyridazin-3-one
SMILESO=c1ccc(C2CC2)nn1CC1CCCN1c1cc(C(F)(F)F)ncn1
InChIInChI=1S/C17H18F3N5O/c18-17(19,20)14-8-15(22-10-21-14)24-7-1-2-12(24)9-25-16(26)6-5-13(23-25)11-3-4-11/h5-6,8,10-12H,1-4,7,9H2
InChIKeyDEPOXSYRCKSXTD-UHFFFAOYSA-N
XLogP2.60
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.36
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-cyclopropyl-2-[[1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]pyridazin-3-one with MolForge

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Related Compounds

2-[[1-(5-chloropyrimidin-2-yl)pyrrolidin-2-yl]methyl]-6-cyclopropylpyridazin-3-one
CID 126923501
6-cyclopropyl-2-[[1-(3-cyclopropylpyrazin-2-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923719
6-cyclopropyl-2-[[1-(6-methylpyrazin-2-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923570
6-tert-butyl-2-[[1-[6-(trifluoromethyl)pyridazin-3-yl]pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126924003
6-methyl-2-[[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]pyridazin-3-one
CID 126863989
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
2-[[1-[6-(dimethylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]-6-imidazol-1-ylpyridazin-3-one
CID 126926503
6-tert-butyl-2-[[1-(5-cyclopropylpyrimidin-2-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126924150
N-cyclopentyl-2-[(3-cyclopropyl-6-oxopyridazin-1-yl)methyl]pyrrolidine-1-carboxamide
CID 126923428
6-cyclopropyl-2-[(1-furo[2,3-d]pyridazin-7-ylpyrrolidin-2-yl)methyl]pyridazin-3-one
CID 126923703
6-cyclopropyl-2-[[1-(quinoxaline-6-carbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923438
2-[[1-[(2-cyclobutylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]methyl]-6-cyclopropylpyridazin-3-one
CID 126923616

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-2-[[1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]pyridazin-3-one?
The IUPAC name of 6-cyclopropyl-2-[[1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]pyridazin-3-one (CID 126923564) is 6-cyclopropyl-2-[[1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 6-cyclopropyl-2-[[1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]pyridazin-3-one?
The canonical SMILES for 6-cyclopropyl-2-[[1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]pyridazin-3-one is O=c1ccc(C2CC2)nn1CC1CCCN1c1cc(C(F)(F)F)ncn1.
What is the InChIKey of 6-cyclopropyl-2-[[1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]pyridazin-3-one?
The InChIKey is DEPOXSYRCKSXTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N5O/c18-17(19,20)14-8-15(22-10-21-14)24-7-1-2-12(24)9-25-16(26)6-5-13(23-25)11-3-4-11/h5-6,8,10-12H,1-4,7,9H2.
What are the key properties of 6-cyclopropyl-2-[[1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]pyridazin-3-one?
6-cyclopropyl-2-[[1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]pyridazin-3-one has a molecular weight of 365.36 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2-[[1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 126923564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).