4-(fluoromethyl)-1-[1-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-2-one

C18H27FN4O — CID 126899861

IUPAC4-(fluoromethyl)-1-[1-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-2-one
SMILESO=C1CC(CF)CN1C1CCN(Cc2ncc3n2CCCC3)CC1
InChIInChI=1S/C18H27FN4O/c19-10-14-9-18(24)23(12-14)15-4-7-21(8-5-15)13-17-20-11-16-3-1-2-6-22(16)17/h11,14-15H,1-10,12-13H2
InChIKeyFNNQXVGPBLBMOB-UHFFFAOYSA-N
MW334.44 g/mol
LogP2.00
Rot. Bonds4

About 4-(fluoromethyl)-1-[1-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-2-one

4-(fluoromethyl)-1-[1-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-2-one (PubChem CID 126899861) has the molecular formula C18H27FN4O and a molecular weight of 334.44 g/mol. Its IUPAC name is 4-(fluoromethyl)-1-[1-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-(fluoromethyl)-1-[1-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-2-one
PubChem CID126899861
Molecular FormulaC18H27FN4O
Molecular Weight334.44 g/mol
Exact Mass334.22
IUPAC Name4-(fluoromethyl)-1-[1-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-2-one
SMILESO=C1CC(CF)CN1C1CCN(Cc2ncc3n2CCCC3)CC1
InChIInChI=1S/C18H27FN4O/c19-10-14-9-18(24)23(12-14)15-4-7-21(8-5-15)13-17-20-11-16-3-1-2-6-22(16)17/h11,14-15H,1-10,12-13H2
InChIKeyFNNQXVGPBLBMOB-UHFFFAOYSA-N
XLogP2.00
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

US10166214, Example 181
CID 117709213
1-(3,7-Dimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-3-methylbutan-1-one
CID 97440495
1-(7-Ethyl-3-methylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-3-methylbutan-1-one
CID 97440546
1-(7-Ethyl-3-methylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-2-methylpropan-1-one
CID 97440547
1-(cyclopentylmethyl)-4-[(7S)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carbonyl]piperazin-2-one
CID 97339707
1-[(3S)-3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 124917961
(3-Cyclopentylpyrrolidin-1-yl)-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)methanone
CID 128864606
[(3R)-3-aminopiperidin-1-yl]-(3-cyclohexyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)methanone
CID 132387078
3-cyclohexyl-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide
CID 75472697
1-(Cyclopentylmethyl)-4-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carbonyl]piperazin-2-one
CID 75472784
(7R)-3-cyclohexyl-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide
CID 97339509
(7S)-3-cyclohexyl-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide
CID 97339510

Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)-1-[1-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-2-one?
The IUPAC name of 4-(fluoromethyl)-1-[1-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-2-one (CID 126899861) is 4-(fluoromethyl)-1-[1-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-2-one.
What is the SMILES notation for 4-(fluoromethyl)-1-[1-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-2-one?
The canonical SMILES for 4-(fluoromethyl)-1-[1-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-2-one is O=C1CC(CF)CN1C1CCN(Cc2ncc3n2CCCC3)CC1.
What is the InChIKey of 4-(fluoromethyl)-1-[1-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-2-one?
The InChIKey is FNNQXVGPBLBMOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN4O/c19-10-14-9-18(24)23(12-14)15-4-7-21(8-5-15)13-17-20-11-16-3-1-2-6-22(16)17/h11,14-15H,1-10,12-13H2.
What are the key properties of 4-(fluoromethyl)-1-[1-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-2-one?
4-(fluoromethyl)-1-[1-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-2-one has a molecular weight of 334.44 g/mol, XLogP of 2.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)-1-[1-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-2-one is sourced from PubChem (CID 126899861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).