(3Z)-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one

C24H21FN4O2 — CID 73387184

IUPAC(3Z)-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one
SMILESO=C1Nc2ccc(C(=O)N3CCN(c4ccccc4F)CC3)cc2/C1=C/c1ccc[nH]1
InChIInChI=1S/C24H21FN4O2/c25-20-5-1-2-6-22(20)28-10-12-29(13-11-28)24(31)16-7-8-21-18(14-16)19(23(30)27-21)15-17-4-3-9-26-17/h1-9,14-15,26H,10-13H2,(H,27,30)/b19-15-
InChIKeySBCRXKBKAGMOQN-CYVLTUHYSA-N
MW416.46 g/mol
LogP3.61
Rot. Bonds3

About (3Z)-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one

(3Z)-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one (PubChem CID 73387184) has the molecular formula C24H21FN4O2 and a molecular weight of 416.46 g/mol. Its IUPAC name is (3Z)-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one
PubChem CID73387184
Molecular FormulaC24H21FN4O2
Molecular Weight416.46 g/mol
Exact Mass416.16
IUPAC Name(3Z)-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one
SMILESO=C1Nc2ccc(C(=O)N3CCN(c4ccccc4F)CC3)cc2/C1=C/c1ccc[nH]1
InChIInChI=1S/C24H21FN4O2/c25-20-5-1-2-6-22(20)28-10-12-29(13-11-28)24(31)16-7-8-21-18(14-16)19(23(30)27-21)15-17-4-3-9-26-17/h1-9,14-15,26H,10-13H2,(H,27,30)/b19-15-
InChIKeySBCRXKBKAGMOQN-CYVLTUHYSA-N
XLogP3.61
TPSA68.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.46
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]methylidene]-4H-1,4-benzothiazin-3-one
CID 4275079
benzyl 2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indole-5-carboxylate
CID 57055183
4-[4-(2-fluorophenyl)piperazine-1-carbonyl]benzoic acid
CID 82183776
4-[4-(2-fluorophenyl)piperazine-1-carbonyl]benzenecarbothioamide
CID 55821119
[4-(2-fluorophenyl)piperazin-1-yl]-(2-sulfanylidene-1H-pyridin-3-yl)methanone
CID 18167730
1,3-benzodioxol-5-yl-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 798083
ethyl 4-[(3Z)-6-[(4-fluorophenyl)sulfonylamino]-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-5-yl]piperazine-1-carboxylate
CID 15984498
(3,5-dinitrophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 2496852
[4-(2-fluorophenyl)piperazin-1-yl]-(6-pyrrolidin-1-yl-3-pyridinyl)methanone
CID 84571000
6-ethyl-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1H-pyridin-2-one
CID 74247706
(4-tert-butylphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 783844
[3-(azepan-1-ylsulfonyl)-4-chlorophenyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 16644067

Frequently Asked Questions

What is the IUPAC name of (3Z)-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one?
The IUPAC name of (3Z)-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one (CID 73387184) is (3Z)-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one.
What is the SMILES notation for (3Z)-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one?
The canonical SMILES for (3Z)-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one is O=C1Nc2ccc(C(=O)N3CCN(c4ccccc4F)CC3)cc2/C1=C/c1ccc[nH]1.
What is the InChIKey of (3Z)-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one?
The InChIKey is SBCRXKBKAGMOQN-CYVLTUHYSA-N. The full InChI is InChI=1S/C24H21FN4O2/c25-20-5-1-2-6-22(20)28-10-12-29(13-11-28)24(31)16-7-8-21-18(14-16)19(23(30)27-21)15-17-4-3-9-26-17/h1-9,14-15,26H,10-13H2,(H,27,30)/b19-15-.
What are the key properties of (3Z)-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one?
(3Z)-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one has a molecular weight of 416.46 g/mol, XLogP of 3.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one is sourced from PubChem (CID 73387184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).