2-[[1-(5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one

C17H20FN5O — CID 126924990

IUPAC2-[[1-(5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
SMILESO=c1cc2c(nn1CC1CCCN1c1ncncc1F)CCCC2
InChIInChI=1S/C17H20FN5O/c18-14-9-19-11-20-17(14)22-7-3-5-13(22)10-23-16(24)8-12-4-1-2-6-15(12)21-23/h8-9,11,13H,1-7,10H2
InChIKeySHSLCRQYHGGCKS-UHFFFAOYSA-N
MW329.38 g/mol
LogP1.72
Rot. Bonds3

About 2-[[1-(5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one

2-[[1-(5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one (PubChem CID 126924990) has the molecular formula C17H20FN5O and a molecular weight of 329.38 g/mol. Its IUPAC name is 2-[[1-(5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one.

Molecular Properties

Compound Name2-[[1-(5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
PubChem CID126924990
Molecular FormulaC17H20FN5O
Molecular Weight329.38 g/mol
Exact Mass329.17
IUPAC Name2-[[1-(5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
SMILESO=c1cc2c(nn1CC1CCCN1c1ncncc1F)CCCC2
InChIInChI=1S/C17H20FN5O/c18-14-9-19-11-20-17(14)22-7-3-5-13(22)10-23-16(24)8-12-4-1-2-6-15(12)21-23/h8-9,11,13H,1-7,10H2
InChIKeySHSLCRQYHGGCKS-UHFFFAOYSA-N
XLogP1.72
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[[1-(5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(7R)-2-methyl-7-[methyl-[3-oxo-3-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propyl]amino]-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 171493357
3-[1-[2-oxo-2-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethyl]pyrrolidin-2-yl]-5-(trifluoromethyl)-1H-pyridazin-6-one
CID 171648188
3-[1-[2-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]-2-oxoethyl]pyrrolidin-2-yl]-5-(trifluoromethyl)-1H-pyridazin-6-one
CID 171648222
N-methyl-2-[2-[6-oxo-5-(trifluoromethyl)-1H-pyridazin-3-yl]pyrrolidin-1-yl]-N-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]acetamide
CID 171648242
5-(difluoromethyl)-3-[1-[2-oxo-2-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethyl]pyrrolidin-2-yl]-1H-pyridazin-6-one
CID 171648279
3-[1-[2-[4-[methyl-[5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-yl]-5-(trifluoromethyl)-1H-pyridazin-6-one
CID 171648290
3-[(2R)-4,4-difluoro-1-[2-oxo-2-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethyl]pyrrolidin-2-yl]-5-(trifluoromethyl)-1H-pyridazin-6-one
CID 171648296
5-methyl-3-[1-[2-oxo-2-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethyl]pyrrolidin-2-yl]-1H-pyridazin-6-one
CID 171648306
5-chloro-3-[1-[2-oxo-2-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethyl]pyrrolidin-2-yl]-1H-pyridazin-6-one
CID 171648310
3-[1-[3-oxo-3-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propyl]pyrrolidin-2-yl]-5-(trifluoromethyl)-1H-pyridazin-6-one
CID 171648317
5-(trifluoromethyl)-3-[1-[2-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]acetyl]pyrrolidin-2-yl]-1H-pyridazin-6-one
CID 171648323
3-[1-[2-[4-[5-(difluoromethyl)pyrimidin-2-yl]piperazin-1-yl]-2-oxoethyl]pyrrolidin-2-yl]-5-(trifluoromethyl)-1H-pyridazin-6-one
CID 171648332

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one?
The IUPAC name of 2-[[1-(5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one (CID 126924990) is 2-[[1-(5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one.
What is the SMILES notation for 2-[[1-(5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one?
The canonical SMILES for 2-[[1-(5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one is O=c1cc2c(nn1CC1CCCN1c1ncncc1F)CCCC2.
What is the InChIKey of 2-[[1-(5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one?
The InChIKey is SHSLCRQYHGGCKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN5O/c18-14-9-19-11-20-17(14)22-7-3-5-13(22)10-23-16(24)8-12-4-1-2-6-15(12)21-23/h8-9,11,13H,1-7,10H2.
What are the key properties of 2-[[1-(5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one?
2-[[1-(5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one has a molecular weight of 329.38 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one is sourced from PubChem (CID 126924990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).