3-[2-[(4-fluoropiperidin-1-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carbonyl]-1H-pyridin-2-one

C19H24FN5O2 — CID 56904807

IUPAC3-[2-[(4-fluoropiperidin-1-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carbonyl]-1H-pyridin-2-one
SMILESO=C(c1ccc[nH]c1=O)N1CCCn2nc(CN3CCC(F)CC3)cc2C1
InChIInChI=1S/C19H24FN5O2/c20-14-4-9-23(10-5-14)12-15-11-16-13-24(7-2-8-25(16)22-15)19(27)17-3-1-6-21-18(17)26/h1,3,6,11,14H,2,4-5,7-10,12-13H2,(H,21,26)
InChIKeyREWQILGBZDYVKI-UHFFFAOYSA-N
MW373.43 g/mol
LogP1.55
Rot. Bonds3

About 3-[2-[(4-fluoropiperidin-1-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carbonyl]-1H-pyridin-2-one

3-[2-[(4-fluoropiperidin-1-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carbonyl]-1H-pyridin-2-one (PubChem CID 56904807) has the molecular formula C19H24FN5O2 and a molecular weight of 373.43 g/mol. Its IUPAC name is 3-[2-[(4-fluoropiperidin-1-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[2-[(4-fluoropiperidin-1-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carbonyl]-1H-pyridin-2-one
PubChem CID56904807
Molecular FormulaC19H24FN5O2
Molecular Weight373.43 g/mol
Exact Mass373.19
IUPAC Name3-[2-[(4-fluoropiperidin-1-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carbonyl]-1H-pyridin-2-one
SMILESO=C(c1ccc[nH]c1=O)N1CCCn2nc(CN3CCC(F)CC3)cc2C1
InChIInChI=1S/C19H24FN5O2/c20-14-4-9-23(10-5-14)12-15-11-16-13-24(7-2-8-25(16)22-15)19(27)17-3-1-6-21-18(17)26/h1,3,6,11,14H,2,4-5,7-10,12-13H2,(H,21,26)
InChIKeyREWQILGBZDYVKI-UHFFFAOYSA-N
XLogP1.55
TPSA74.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[2-[(4-fluoropiperidin-1-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carbonyl]-1H-pyridin-2-one with MolForge

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Related Compounds

N-[(5-acetyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]piperidine-1-carboxamide
CID 70732583
N~1~-[(5-isobutyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-beta-alaninamide
CID 70767779
2-hydroxy-N-[(5-isobutyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]nicotinamide
CID 70782733
3-chloro-5-[3-(3,5-dimethylpyrazol-1-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 72142614
4-[3-(3,5-Dimethylpyrazol-1-yl)piperidine-1-carbonyl]-1-methylpyridin-2-one
CID 72142636
N,N-dimethyl-2-({[3-(6-methyl-2-oxopyridin-1(2H)-yl)propanoyl]amino}methyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-5(4H)-carboxamide
CID 72885927
6-methyl-4-oxo-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 74239390
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-1-methyl-2-oxo-1,2-dihydropyridine-3-carboxamide
CID 49738298
N-[(5-cyclohexyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)methyl]-1-ethyl-2-oxo-1,2-dihydropyridine-4-carboxamide
CID 72856631
2-[2-oxo-5-(trifluoromethyl)-1(2H)-pyridinyl]-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)acetamide hydrochloride
CID 70729786
2-oxo-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 70734631
2-[2-oxo-5-(trifluoromethyl)-1(2H)-pyridinyl]-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)acetamide hydrochloride
CID 70737551

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(4-fluoropiperidin-1-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 3-[2-[(4-fluoropiperidin-1-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carbonyl]-1H-pyridin-2-one (CID 56904807) is 3-[2-[(4-fluoropiperidin-1-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 3-[2-[(4-fluoropiperidin-1-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 3-[2-[(4-fluoropiperidin-1-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carbonyl]-1H-pyridin-2-one is O=C(c1ccc[nH]c1=O)N1CCCn2nc(CN3CCC(F)CC3)cc2C1.
What is the InChIKey of 3-[2-[(4-fluoropiperidin-1-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carbonyl]-1H-pyridin-2-one?
The InChIKey is REWQILGBZDYVKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN5O2/c20-14-4-9-23(10-5-14)12-15-11-16-13-24(7-2-8-25(16)22-15)19(27)17-3-1-6-21-18(17)26/h1,3,6,11,14H,2,4-5,7-10,12-13H2,(H,21,26).
What are the key properties of 3-[2-[(4-fluoropiperidin-1-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carbonyl]-1H-pyridin-2-one?
3-[2-[(4-fluoropiperidin-1-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carbonyl]-1H-pyridin-2-one has a molecular weight of 373.43 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(4-fluoropiperidin-1-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 56904807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).