(3R)-3-(3-fluorophenyl)-4-[3-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)propanoyl]piperazin-2-one

C20H24FN5O2 — CID 95861004

IUPAC(3R)-3-(3-fluorophenyl)-4-[3-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)propanoyl]piperazin-2-one
SMILESO=C1NCCN(C(=O)CCc2cc3n(n2)CCCNC3)[C@@H]1c1cccc(F)c1
InChIInChI=1S/C20H24FN5O2/c21-15-4-1-3-14(11-15)19-20(28)23-8-10-25(19)18(27)6-5-16-12-17-13-22-7-2-9-26(17)24-16/h1,3-4,11-12,19,22H,2,5-10,13H2,(H,23,28)/t19-/m1/s1
InChIKeyFLQSUHGCXBXCES-LJQANCHMSA-N
MW385.44 g/mol
LogP1.15
Rot. Bonds4

About (3R)-3-(3-fluorophenyl)-4-[3-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)propanoyl]piperazin-2-one

(3R)-3-(3-fluorophenyl)-4-[3-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)propanoyl]piperazin-2-one (PubChem CID 95861004) has the molecular formula C20H24FN5O2 and a molecular weight of 385.44 g/mol. Its IUPAC name is (3R)-3-(3-fluorophenyl)-4-[3-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)propanoyl]piperazin-2-one.

Molecular Properties

Compound Name(3R)-3-(3-fluorophenyl)-4-[3-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)propanoyl]piperazin-2-one
PubChem CID95861004
Molecular FormulaC20H24FN5O2
Molecular Weight385.44 g/mol
Exact Mass385.19
IUPAC Name(3R)-3-(3-fluorophenyl)-4-[3-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)propanoyl]piperazin-2-one
SMILESO=C1NCCN(C(=O)CCc2cc3n(n2)CCCNC3)[C@@H]1c1cccc(F)c1
InChIInChI=1S/C20H24FN5O2/c21-15-4-1-3-14(11-15)19-20(28)23-8-10-25(19)18(27)6-5-16-12-17-13-22-7-2-9-26(17)24-16/h1,3-4,11-12,19,22H,2,5-10,13H2,(H,23,28)/t19-/m1/s1
InChIKeyFLQSUHGCXBXCES-LJQANCHMSA-N
XLogP1.15
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3R)-3-(3-fluorophenyl)-4-[3-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)propanoyl]piperazin-2-one with MolForge

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Related Compounds

4-[3-(3-fluorophenyl)propanoyl]-3-phenylpiperazin-2-one
CID 110728490
(3S)-4-[2-[4-(2-aminoethoxy)phenyl]acetyl]-3-(3-fluorophenyl)piperazin-2-one
CID 126430821
3-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)-1-thiomorpholin-4-ylpropan-1-one
CID 70734173
(3S)-4-[2-(1H-benzimidazol-2-yl)acetyl]-3-(3-fluorophenyl)piperazin-2-one
CID 126453334
3-(3-fluorophenyl)-4-[1-(methoxymethyl)cyclobutanecarbonyl]piperazin-2-one
CID 74248815
(3S)-3-(3-fluorophenyl)-4-[4-(1H-pyrazol-5-yl)benzoyl]piperazin-2-one
CID 95136778
N,N-dimethyl-3-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)propanamide
CID 176890096
3-(3-fluorophenyl)-4-[2-(2-phenylimidazol-1-yl)acetyl]piperazin-2-one
CID 72862229
1-[4-(pyridin-2-ylamino)piperidin-1-yl]-3-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)propan-1-one;dihydrochloride
CID 154894563
3-(3-chlorophenyl)-4-[2-(4-fluorophenyl)acetyl]piperazin-2-one
CID 110656819
3-(3-chlorophenyl)-4-[3-(4-ethylphenyl)propanoyl]piperazin-2-one
CID 110656877
(3S)-4-[4-(3-aminopropoxy)benzoyl]-3-(3-fluorophenyl)piperazin-2-one
CID 125168382

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(3-fluorophenyl)-4-[3-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)propanoyl]piperazin-2-one?
The IUPAC name of (3R)-3-(3-fluorophenyl)-4-[3-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)propanoyl]piperazin-2-one (CID 95861004) is (3R)-3-(3-fluorophenyl)-4-[3-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)propanoyl]piperazin-2-one.
What is the SMILES notation for (3R)-3-(3-fluorophenyl)-4-[3-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)propanoyl]piperazin-2-one?
The canonical SMILES for (3R)-3-(3-fluorophenyl)-4-[3-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)propanoyl]piperazin-2-one is O=C1NCCN(C(=O)CCc2cc3n(n2)CCCNC3)[C@@H]1c1cccc(F)c1.
What is the InChIKey of (3R)-3-(3-fluorophenyl)-4-[3-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)propanoyl]piperazin-2-one?
The InChIKey is FLQSUHGCXBXCES-LJQANCHMSA-N. The full InChI is InChI=1S/C20H24FN5O2/c21-15-4-1-3-14(11-15)19-20(28)23-8-10-25(19)18(27)6-5-16-12-17-13-22-7-2-9-26(17)24-16/h1,3-4,11-12,19,22H,2,5-10,13H2,(H,23,28)/t19-/m1/s1.
What are the key properties of (3R)-3-(3-fluorophenyl)-4-[3-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)propanoyl]piperazin-2-one?
(3R)-3-(3-fluorophenyl)-4-[3-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)propanoyl]piperazin-2-one has a molecular weight of 385.44 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(3-fluorophenyl)-4-[3-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)propanoyl]piperazin-2-one is sourced from PubChem (CID 95861004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).