4-fluoro-3-[2-oxo-2-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]acetyl]-1H-indole-7-carboxamide

C20H22FN5O4 — CID 10001884

IUPAC4-fluoro-3-[2-oxo-2-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]acetyl]-1H-indole-7-carboxamide
SMILESNC(=O)c1ccc(F)c2c(C(=O)C(=O)N3CCN(C(=O)N4CCCC4)CC3)c[nH]c12
InChIInChI=1S/C20H22FN5O4/c21-14-4-3-12(18(22)28)16-15(14)13(11-23-16)17(27)19(29)24-7-9-26(10-8-24)20(30)25-5-1-2-6-25/h3-4,11,23H,1-2,5-10H2,(H2,22,28)
InChIKeyMQNUJVXUDNRSGY-UHFFFAOYSA-N
MW415.43 g/mol
LogP0.95
Rot. Bonds3

About 4-fluoro-3-[2-oxo-2-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]acetyl]-1H-indole-7-carboxamide

4-fluoro-3-[2-oxo-2-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]acetyl]-1H-indole-7-carboxamide (PubChem CID 10001884) has the molecular formula C20H22FN5O4 and a molecular weight of 415.43 g/mol. Its IUPAC name is 4-fluoro-3-[2-oxo-2-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]acetyl]-1H-indole-7-carboxamide.

Molecular Properties

Compound Name4-fluoro-3-[2-oxo-2-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]acetyl]-1H-indole-7-carboxamide
PubChem CID10001884
Molecular FormulaC20H22FN5O4
Molecular Weight415.43 g/mol
Exact Mass415.17
IUPAC Name4-fluoro-3-[2-oxo-2-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]acetyl]-1H-indole-7-carboxamide
SMILESNC(=O)c1ccc(F)c2c(C(=O)C(=O)N3CCN(C(=O)N4CCCC4)CC3)c[nH]c12
InChIInChI=1S/C20H22FN5O4/c21-14-4-3-12(18(22)28)16-15(14)13(11-23-16)17(27)19(29)24-7-9-26(10-8-24)20(30)25-5-1-2-6-25/h3-4,11,23H,1-2,5-10H2,(H2,22,28)
InChIKeyMQNUJVXUDNRSGY-UHFFFAOYSA-N
XLogP0.95
TPSA119.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.43
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-fluoro-3-[2-oxo-2-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]acetyl]-1H-indole-7-carboxamide with MolForge

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Related Compounds

1-(7-acetyl-4-fluoro-1H-indol-3-yl)-2-(4-benzoylpiperazin-1-yl)ethane-1,2-dione
CID 59069109
3-[2-[4-(azetidin-1-ylsulfonyl)piperazin-1-yl]-2-oxoacetyl]-4-fluoro-N-methyl-1H-indole-7-carboxamide
CID 6481439
(E)-[[4-[2-(4,7-difluoro-1H-indol-3-yl)-2-oxoacetyl]piperazin-1-yl]-phenylmethylidene]urea
CID 58852096
1-(4-benzoylpiperazin-1-yl)-2-(4-fluoro-7-methyl-1H-indol-3-yl)ethane-1,2-dione
CID 506244
tert-butyl [4-[2-[4-fluoro-7-(N'-hydroxycarbamimidoyl)-1H-indol-3-yl]-2-oxoacetyl]piperazin-1-yl] carbonate
CID 173212850
3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4-fluoro-N,N'-bis(methylamino)-1H-indole-7-carboximidamide
CID 72506343
1-[4-(benzenecarboximidoyl)piperazin-1-yl]-2-(7-bromo-4-fluoro-1H-indol-3-yl)ethane-1,2-dione
CID 16729478
1-(4-benzoylpiperazin-1-yl)-2-(4-bromo-7-fluoro-1H-indol-3-yl)ethane-1,2-dione
CID 506250
4-fluoro-3-[2-oxo-2-[4-(pyridine-2-carbonyl)piperazin-1-yl]acetyl]-1H-indole-7-carbonitrile
CID 59058875
1-(4-benzoylpiperazin-1-yl)-2-(4-fluoro-7-pyridin-3-yl-1H-indol-3-yl)ethane-1,2-dione
CID 507824
[[4-[2-(4-fluoro-7-methyl-1H-indol-3-yl)-2-oxoacetyl]piperazin-1-yl]-phenylmethylidene]cyanamide
CID 88884608
[[4-[2-(7-bromo-4-fluoro-1H-indol-3-yl)-2-oxoacetyl]piperazin-1-yl]-phenylmethylidene]cyanamide
CID 16729445

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-[2-oxo-2-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]acetyl]-1H-indole-7-carboxamide?
The IUPAC name of 4-fluoro-3-[2-oxo-2-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]acetyl]-1H-indole-7-carboxamide (CID 10001884) is 4-fluoro-3-[2-oxo-2-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]acetyl]-1H-indole-7-carboxamide.
What is the SMILES notation for 4-fluoro-3-[2-oxo-2-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]acetyl]-1H-indole-7-carboxamide?
The canonical SMILES for 4-fluoro-3-[2-oxo-2-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]acetyl]-1H-indole-7-carboxamide is NC(=O)c1ccc(F)c2c(C(=O)C(=O)N3CCN(C(=O)N4CCCC4)CC3)c[nH]c12.
What is the InChIKey of 4-fluoro-3-[2-oxo-2-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]acetyl]-1H-indole-7-carboxamide?
The InChIKey is MQNUJVXUDNRSGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN5O4/c21-14-4-3-12(18(22)28)16-15(14)13(11-23-16)17(27)19(29)24-7-9-26(10-8-24)20(30)25-5-1-2-6-25/h3-4,11,23H,1-2,5-10H2,(H2,22,28).
What are the key properties of 4-fluoro-3-[2-oxo-2-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]acetyl]-1H-indole-7-carboxamide?
4-fluoro-3-[2-oxo-2-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]acetyl]-1H-indole-7-carboxamide has a molecular weight of 415.43 g/mol, XLogP of 0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-[2-oxo-2-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]acetyl]-1H-indole-7-carboxamide is sourced from PubChem (CID 10001884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).