(7Z)-7-(5-fluoro-2-oxo-1H-indol-3-ylidene)-2-methyl-N-(3-morpholin-4-ylpropyl)-1,4,5,6-tetrahydroindole-3-carboxamide

C25H29FN4O3 — CID 59376058

IUPAC(7Z)-7-(5-fluoro-2-oxo-1H-indol-3-ylidene)-2-methyl-N-(3-morpholin-4-ylpropyl)-1,4,5,6-tetrahydroindole-3-carboxamide
SMILESCc1[nH]c2c(c1C(=O)NCCCN1CCOCC1)CCC/C2=C1/C(=O)Nc2ccc(F)cc21
InChIInChI=1S/C25H29FN4O3/c1-15-21(24(31)27-8-3-9-30-10-12-33-13-11-30)17-4-2-5-18(23(17)28-15)22-19-14-16(26)6-7-20(19)29-25(22)32/h6-7,14,28H,2-5,8-13H2,1H3,(H,27,31)(H,29,32)/b22-18-
InChIKeyMWDKQVZICDCEDA-PYCFMQQDSA-N
MW452.53 g/mol
LogP3.11
Rot. Bonds5

About (7Z)-7-(5-fluoro-2-oxo-1H-indol-3-ylidene)-2-methyl-N-(3-morpholin-4-ylpropyl)-1,4,5,6-tetrahydroindole-3-carboxamide

(7Z)-7-(5-fluoro-2-oxo-1H-indol-3-ylidene)-2-methyl-N-(3-morpholin-4-ylpropyl)-1,4,5,6-tetrahydroindole-3-carboxamide (PubChem CID 59376058) has the molecular formula C25H29FN4O3 and a molecular weight of 452.53 g/mol. Its IUPAC name is (7Z)-7-(5-fluoro-2-oxo-1H-indol-3-ylidene)-2-methyl-N-(3-morpholin-4-ylpropyl)-1,4,5,6-tetrahydroindole-3-carboxamide.

Molecular Properties

Compound Name(7Z)-7-(5-fluoro-2-oxo-1H-indol-3-ylidene)-2-methyl-N-(3-morpholin-4-ylpropyl)-1,4,5,6-tetrahydroindole-3-carboxamide
PubChem CID59376058
Molecular FormulaC25H29FN4O3
Molecular Weight452.53 g/mol
Exact Mass452.22
IUPAC Name(7Z)-7-(5-fluoro-2-oxo-1H-indol-3-ylidene)-2-methyl-N-(3-morpholin-4-ylpropyl)-1,4,5,6-tetrahydroindole-3-carboxamide
SMILESCc1[nH]c2c(c1C(=O)NCCCN1CCOCC1)CCC/C2=C1/C(=O)Nc2ccc(F)cc21
InChIInChI=1S/C25H29FN4O3/c1-15-21(24(31)27-8-3-9-30-10-12-33-13-11-30)17-4-2-5-18(23(17)28-15)22-19-14-16(26)6-7-20(19)29-25(22)32/h6-7,14,28H,2-5,8-13H2,1H3,(H,27,31)(H,29,32)/b22-18-
InChIKeyMWDKQVZICDCEDA-PYCFMQQDSA-N
XLogP3.11
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.53
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (7Z)-7-(5-fluoro-2-oxo-1H-indol-3-ylidene)-2-methyl-N-(3-morpholin-4-ylpropyl)-1,4,5,6-tetrahydroindole-3-carboxamide?
The IUPAC name of (7Z)-7-(5-fluoro-2-oxo-1H-indol-3-ylidene)-2-methyl-N-(3-morpholin-4-ylpropyl)-1,4,5,6-tetrahydroindole-3-carboxamide (CID 59376058) is (7Z)-7-(5-fluoro-2-oxo-1H-indol-3-ylidene)-2-methyl-N-(3-morpholin-4-ylpropyl)-1,4,5,6-tetrahydroindole-3-carboxamide.
What is the SMILES notation for (7Z)-7-(5-fluoro-2-oxo-1H-indol-3-ylidene)-2-methyl-N-(3-morpholin-4-ylpropyl)-1,4,5,6-tetrahydroindole-3-carboxamide?
The canonical SMILES for (7Z)-7-(5-fluoro-2-oxo-1H-indol-3-ylidene)-2-methyl-N-(3-morpholin-4-ylpropyl)-1,4,5,6-tetrahydroindole-3-carboxamide is Cc1[nH]c2c(c1C(=O)NCCCN1CCOCC1)CCC/C2=C1/C(=O)Nc2ccc(F)cc21.
What is the InChIKey of (7Z)-7-(5-fluoro-2-oxo-1H-indol-3-ylidene)-2-methyl-N-(3-morpholin-4-ylpropyl)-1,4,5,6-tetrahydroindole-3-carboxamide?
The InChIKey is MWDKQVZICDCEDA-PYCFMQQDSA-N. The full InChI is InChI=1S/C25H29FN4O3/c1-15-21(24(31)27-8-3-9-30-10-12-33-13-11-30)17-4-2-5-18(23(17)28-15)22-19-14-16(26)6-7-20(19)29-25(22)32/h6-7,14,28H,2-5,8-13H2,1H3,(H,27,31)(H,29,32)/b22-18-.
What are the key properties of (7Z)-7-(5-fluoro-2-oxo-1H-indol-3-ylidene)-2-methyl-N-(3-morpholin-4-ylpropyl)-1,4,5,6-tetrahydroindole-3-carboxamide?
(7Z)-7-(5-fluoro-2-oxo-1H-indol-3-ylidene)-2-methyl-N-(3-morpholin-4-ylpropyl)-1,4,5,6-tetrahydroindole-3-carboxamide has a molecular weight of 452.53 g/mol, XLogP of 3.11, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z)-7-(5-fluoro-2-oxo-1H-indol-3-ylidene)-2-methyl-N-(3-morpholin-4-ylpropyl)-1,4,5,6-tetrahydroindole-3-carboxamide is sourced from PubChem (CID 59376058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).