6-cyclopropyl-2-[[1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one

C16H18FN5O — CID 126923499

IUPAC6-cyclopropyl-2-[[1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one
SMILESO=c1ccc(C2CC2)nn1CC1CCCN1c1ncc(F)cn1
InChIInChI=1S/C16H18FN5O/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
InChIKeyCGXCDCQGWHHKDP-UHFFFAOYSA-N
MW315.35 g/mol
LogP1.72
Rot. Bonds4

About 6-cyclopropyl-2-[[1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one

6-cyclopropyl-2-[[1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one (PubChem CID 126923499) has the molecular formula C16H18FN5O and a molecular weight of 315.35 g/mol. Its IUPAC name is 6-cyclopropyl-2-[[1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-cyclopropyl-2-[[1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one
PubChem CID126923499
Molecular FormulaC16H18FN5O
Molecular Weight315.35 g/mol
Exact Mass315.15
IUPAC Name6-cyclopropyl-2-[[1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one
SMILESO=c1ccc(C2CC2)nn1CC1CCCN1c1ncc(F)cn1
InChIInChI=1S/C16H18FN5O/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
InChIKeyCGXCDCQGWHHKDP-UHFFFAOYSA-N
XLogP1.72
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-cyclopropyl-2-(2-oxo-2-(4-(pyrimidin-2-yl)piperazin-1-yl)ethyl)pyridazin-3(2H)-one
CID 122160613
2-(2-Cyclopropylethyl)-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one
CID 164142819
2-[(Z,2E)-2-ethylidenehex-3-en-5-ynyl]-6-[2-[2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-5-yl]pyridazin-3-one
CID 169629145
5-cyclopropyl-3-[1-[2-oxo-2-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethyl]pyrrolidin-2-yl]-1H-pyridazin-6-one
CID 171648289
3-[1-[2-[1-(5-cyclopropylpyrimidin-2-yl)-3,5-dihydro-2H-pyrazin-1-ium-4-yl]-2-oxoethyl]pyrrolidin-2-yl]-5-(trifluoromethyl)-1H-pyridazin-6-one
CID 171648359
3-[1-[2-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-2-oxoethyl]pyrrolidin-2-yl]-5-(trifluoromethyl)-1H-pyridazin-6-one
CID 171648442
3-[1-[3-oxo-3-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propyl]pyrrolidin-3-yl]-5-(trifluoromethyl)-1H-pyridazin-6-one
CID 176045181
3-[(3R)-1-[3-oxo-3-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propyl]pyrrolidin-3-yl]-5-(trifluoromethyl)-1H-pyridazin-6-one
CID 176045182
2-{[1-(5-Fluoropyrimidin-2-yl)piperidin-4-yl]methyl}-6-methyl-2,3-dihydropyridazin-3-one
CID 126854357
6-Tert-butyl-2-{[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl}-2,3-dihydropyridazin-3-one
CID 126862316
6-Tert-butyl-2-{[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]methyl}-2,3-dihydropyridazin-3-one
CID 126862586
2-{[1-(5-Fluoropyrimidin-2-yl)piperidin-4-yl]methyl}-2,3,5,6,7,8-hexahydrocinnolin-3-one
CID 126862790

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-2-[[1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one?
The IUPAC name of 6-cyclopropyl-2-[[1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one (CID 126923499) is 6-cyclopropyl-2-[[1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 6-cyclopropyl-2-[[1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one?
The canonical SMILES for 6-cyclopropyl-2-[[1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one is O=c1ccc(C2CC2)nn1CC1CCCN1c1ncc(F)cn1.
What is the InChIKey of 6-cyclopropyl-2-[[1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one?
The InChIKey is CGXCDCQGWHHKDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN5O/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 6-cyclopropyl-2-[[1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one?
6-cyclopropyl-2-[[1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one has a molecular weight of 315.35 g/mol, XLogP of 1.72, 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-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 126923499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).