N-(4-fluorophenyl)-4-(5-methyl-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-2-yl)piperidine-1-carboxamide

C20H24FN5O2 — CID 53165373

IUPACN-(4-fluorophenyl)-4-(5-methyl-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-2-yl)piperidine-1-carboxamide
SMILESCN1CCCn2nc(C3CCN(C(=O)Nc4ccc(F)cc4)CC3)cc2C1=O
InChIInChI=1S/C20H24FN5O2/c1-24-9-2-10-26-18(19(24)27)13-17(23-26)14-7-11-25(12-8-14)20(28)22-16-5-3-15(21)4-6-16/h3-6,13-14H,2,7-12H2,1H3,(H,22,28)
InChIKeyXNMQZOXMRQJMLG-UHFFFAOYSA-N
MW385.44 g/mol
LogP2.91
Rot. Bonds2

About N-(4-fluorophenyl)-4-(5-methyl-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-2-yl)piperidine-1-carboxamide

N-(4-fluorophenyl)-4-(5-methyl-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-2-yl)piperidine-1-carboxamide (PubChem CID 53165373) has the molecular formula C20H24FN5O2 and a molecular weight of 385.44 g/mol. Its IUPAC name is N-(4-fluorophenyl)-4-(5-methyl-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-4-(5-methyl-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-2-yl)piperidine-1-carboxamide
PubChem CID53165373
Molecular FormulaC20H24FN5O2
Molecular Weight385.44 g/mol
Exact Mass385.19
IUPAC NameN-(4-fluorophenyl)-4-(5-methyl-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-2-yl)piperidine-1-carboxamide
SMILESCN1CCCn2nc(C3CCN(C(=O)Nc4ccc(F)cc4)CC3)cc2C1=O
InChIInChI=1S/C20H24FN5O2/c1-24-9-2-10-26-18(19(24)27)13-17(23-26)14-7-11-25(12-8-14)20(28)22-16-5-3-15(21)4-6-16/h3-6,13-14H,2,7-12H2,1H3,(H,22,28)
InChIKeyXNMQZOXMRQJMLG-UHFFFAOYSA-N
XLogP2.91
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(4-fluorophenyl)piperidine-1-carboxamide
CID 16773171
N-(4-fluorophenyl)-4-sulfanylpiperidine-1-carboxamide
CID 123534187
3-amino-N-(4-fluorophenyl)pyrrolidine-1-carboxamide
CID 62068743
(3aS,8aS)-N-(4-fluorophenyl)-2-methyl-1,1-dioxo-3a,4,5,7,8,8a-hexahydro-3H-[1,2]thiazolo[4,5-d]azepine-6-carboxamide
CID 125227580
N-(4-fluorophenyl)-4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide
CID 71837590
N-[4-(4-fluorophenyl)sulfonylphenyl]-4-methylpiperidine-1-carboxamide
CID 138992828
N-(4-fluorophenyl)-4-(propylamino)piperidine-1-carboxamide
CID 60819629
4-(2,5-dimethylpyrazole-3-carbonyl)-N-(4-fluorophenyl)piperazine-1-carboxamide
CID 51089036
5-methyl-2-[4-(2-oxo-1H-pyridin-4-yl)piperidine-1-carbonyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 146044926
4-(1,2-oxazol-3-yl)-N-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]piperidine-1-carboxamide
CID 126825466
N-(4-methoxyphenyl)-4-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-1-carboxamide
CID 136988407
N-(4-fluorophenyl)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 50769479

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-4-(5-methyl-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-2-yl)piperidine-1-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-4-(5-methyl-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-2-yl)piperidine-1-carboxamide (CID 53165373) is N-(4-fluorophenyl)-4-(5-methyl-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-4-(5-methyl-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-2-yl)piperidine-1-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-4-(5-methyl-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-2-yl)piperidine-1-carboxamide is CN1CCCn2nc(C3CCN(C(=O)Nc4ccc(F)cc4)CC3)cc2C1=O.
What is the InChIKey of N-(4-fluorophenyl)-4-(5-methyl-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-2-yl)piperidine-1-carboxamide?
The InChIKey is XNMQZOXMRQJMLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN5O2/c1-24-9-2-10-26-18(19(24)27)13-17(23-26)14-7-11-25(12-8-14)20(28)22-16-5-3-15(21)4-6-16/h3-6,13-14H,2,7-12H2,1H3,(H,22,28).
What are the key properties of N-(4-fluorophenyl)-4-(5-methyl-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-2-yl)piperidine-1-carboxamide?
N-(4-fluorophenyl)-4-(5-methyl-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-2-yl)piperidine-1-carboxamide has a molecular weight of 385.44 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-4-(5-methyl-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 53165373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).