(7Z)-N-[3-(diethylamino)propyl]-7-(5-fluoro-2-oxo-1H-indol-3-ylidene)-2-methyl-1,4,5,6-tetrahydroindole-3-carboxamide

C25H31FN4O2 — CID 59376025

IUPAC(7Z)-N-[3-(diethylamino)propyl]-7-(5-fluoro-2-oxo-1H-indol-3-ylidene)-2-methyl-1,4,5,6-tetrahydroindole-3-carboxamide
SMILESCCN(CC)CCCNC(=O)c1c(C)[nH]c2c1CCC/C2=C1/C(=O)Nc2ccc(F)cc21
InChIInChI=1S/C25H31FN4O2/c1-4-30(5-2)13-7-12-27-24(31)21-15(3)28-23-17(21)8-6-9-18(23)22-19-14-16(26)10-11-20(19)29-25(22)32/h10-11,14,28H,4-9,12-13H2,1-3H3,(H,27,31)(H,29,32)/b22-18-
InChIKeyNMGSBNKYPAIWOG-PYCFMQQDSA-N
MW438.55 g/mol
LogP4.12
Rot. Bonds7

About (7Z)-N-[3-(diethylamino)propyl]-7-(5-fluoro-2-oxo-1H-indol-3-ylidene)-2-methyl-1,4,5,6-tetrahydroindole-3-carboxamide

(7Z)-N-[3-(diethylamino)propyl]-7-(5-fluoro-2-oxo-1H-indol-3-ylidene)-2-methyl-1,4,5,6-tetrahydroindole-3-carboxamide (PubChem CID 59376025) has the molecular formula C25H31FN4O2 and a molecular weight of 438.55 g/mol. Its IUPAC name is (7Z)-N-[3-(diethylamino)propyl]-7-(5-fluoro-2-oxo-1H-indol-3-ylidene)-2-methyl-1,4,5,6-tetrahydroindole-3-carboxamide.

Molecular Properties

Compound Name(7Z)-N-[3-(diethylamino)propyl]-7-(5-fluoro-2-oxo-1H-indol-3-ylidene)-2-methyl-1,4,5,6-tetrahydroindole-3-carboxamide
PubChem CID59376025
Molecular FormulaC25H31FN4O2
Molecular Weight438.55 g/mol
Exact Mass438.24
IUPAC Name(7Z)-N-[3-(diethylamino)propyl]-7-(5-fluoro-2-oxo-1H-indol-3-ylidene)-2-methyl-1,4,5,6-tetrahydroindole-3-carboxamide
SMILESCCN(CC)CCCNC(=O)c1c(C)[nH]c2c1CCC/C2=C1/C(=O)Nc2ccc(F)cc21
InChIInChI=1S/C25H31FN4O2/c1-4-30(5-2)13-7-12-27-24(31)21-15(3)28-23-17(21)8-6-9-18(23)22-19-14-16(26)10-11-20(19)29-25(22)32/h10-11,14,28H,4-9,12-13H2,1-3H3,(H,27,31)(H,29,32)/b22-18-
InChIKeyNMGSBNKYPAIWOG-PYCFMQQDSA-N
XLogP4.12
TPSA77.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 54.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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)-N-[3-(diethylamino)propyl]-7-(5-fluoro-2-oxo-1H-indol-3-ylidene)-2-methyl-1,4,5,6-tetrahydroindole-3-carboxamide?
The IUPAC name of (7Z)-N-[3-(diethylamino)propyl]-7-(5-fluoro-2-oxo-1H-indol-3-ylidene)-2-methyl-1,4,5,6-tetrahydroindole-3-carboxamide (CID 59376025) is (7Z)-N-[3-(diethylamino)propyl]-7-(5-fluoro-2-oxo-1H-indol-3-ylidene)-2-methyl-1,4,5,6-tetrahydroindole-3-carboxamide.
What is the SMILES notation for (7Z)-N-[3-(diethylamino)propyl]-7-(5-fluoro-2-oxo-1H-indol-3-ylidene)-2-methyl-1,4,5,6-tetrahydroindole-3-carboxamide?
The canonical SMILES for (7Z)-N-[3-(diethylamino)propyl]-7-(5-fluoro-2-oxo-1H-indol-3-ylidene)-2-methyl-1,4,5,6-tetrahydroindole-3-carboxamide is CCN(CC)CCCNC(=O)c1c(C)[nH]c2c1CCC/C2=C1/C(=O)Nc2ccc(F)cc21.
What is the InChIKey of (7Z)-N-[3-(diethylamino)propyl]-7-(5-fluoro-2-oxo-1H-indol-3-ylidene)-2-methyl-1,4,5,6-tetrahydroindole-3-carboxamide?
The InChIKey is NMGSBNKYPAIWOG-PYCFMQQDSA-N. The full InChI is InChI=1S/C25H31FN4O2/c1-4-30(5-2)13-7-12-27-24(31)21-15(3)28-23-17(21)8-6-9-18(23)22-19-14-16(26)10-11-20(19)29-25(22)32/h10-11,14,28H,4-9,12-13H2,1-3H3,(H,27,31)(H,29,32)/b22-18-.
What are the key properties of (7Z)-N-[3-(diethylamino)propyl]-7-(5-fluoro-2-oxo-1H-indol-3-ylidene)-2-methyl-1,4,5,6-tetrahydroindole-3-carboxamide?
(7Z)-N-[3-(diethylamino)propyl]-7-(5-fluoro-2-oxo-1H-indol-3-ylidene)-2-methyl-1,4,5,6-tetrahydroindole-3-carboxamide has a molecular weight of 438.55 g/mol, XLogP of 4.12, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z)-N-[3-(diethylamino)propyl]-7-(5-fluoro-2-oxo-1H-indol-3-ylidene)-2-methyl-1,4,5,6-tetrahydroindole-3-carboxamide is sourced from PubChem (CID 59376025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).