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

C22H25FN4O2 — CID 59376014

IUPAC(7Z)-N-[2-(dimethylamino)ethyl]-7-(5-fluoro-2-oxo-1H-indol-3-ylidene)-2-methyl-1,4,5,6-tetrahydroindole-3-carboxamide
SMILESCc1[nH]c2c(c1C(=O)NCCN(C)C)CCC/C2=C1/C(=O)Nc2ccc(F)cc21
InChIInChI=1S/C22H25FN4O2/c1-12-18(21(28)24-9-10-27(2)3)14-5-4-6-15(20(14)25-12)19-16-11-13(23)7-8-17(16)26-22(19)29/h7-8,11,25H,4-6,9-10H2,1-3H3,(H,24,28)(H,26,29)/b19-15-
InChIKeyCARLZFLTQJQGIP-CYVLTUHYSA-N
MW396.47 g/mol
LogP2.95
Rot. Bonds4

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

(7Z)-N-[2-(dimethylamino)ethyl]-7-(5-fluoro-2-oxo-1H-indol-3-ylidene)-2-methyl-1,4,5,6-tetrahydroindole-3-carboxamide (PubChem CID 59376014) has the molecular formula C22H25FN4O2 and a molecular weight of 396.47 g/mol. Its IUPAC name is (7Z)-N-[2-(dimethylamino)ethyl]-7-(5-fluoro-2-oxo-1H-indol-3-ylidene)-2-methyl-1,4,5,6-tetrahydroindole-3-carboxamide.

Molecular Properties

Compound Name(7Z)-N-[2-(dimethylamino)ethyl]-7-(5-fluoro-2-oxo-1H-indol-3-ylidene)-2-methyl-1,4,5,6-tetrahydroindole-3-carboxamide
PubChem CID59376014
Molecular FormulaC22H25FN4O2
Molecular Weight396.47 g/mol
Exact Mass396.20
IUPAC Name(7Z)-N-[2-(dimethylamino)ethyl]-7-(5-fluoro-2-oxo-1H-indol-3-ylidene)-2-methyl-1,4,5,6-tetrahydroindole-3-carboxamide
SMILESCc1[nH]c2c(c1C(=O)NCCN(C)C)CCC/C2=C1/C(=O)Nc2ccc(F)cc21
InChIInChI=1S/C22H25FN4O2/c1-12-18(21(28)24-9-10-27(2)3)14-5-4-6-15(20(14)25-12)19-16-11-13(23)7-8-17(16)26-22(19)29/h7-8,11,25H,4-6,9-10H2,1-3H3,(H,24,28)(H,26,29)/b19-15-
InChIKeyCARLZFLTQJQGIP-CYVLTUHYSA-N
XLogP2.95
TPSA77.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (7Z)-N-[2-(dimethylamino)ethyl]-7-(5-fluoro-2-oxo-1H-indol-3-ylidene)-2-methyl-1,4,5,6-tetrahydroindole-3-carboxamide?
The IUPAC name of (7Z)-N-[2-(dimethylamino)ethyl]-7-(5-fluoro-2-oxo-1H-indol-3-ylidene)-2-methyl-1,4,5,6-tetrahydroindole-3-carboxamide (CID 59376014) is (7Z)-N-[2-(dimethylamino)ethyl]-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-[2-(dimethylamino)ethyl]-7-(5-fluoro-2-oxo-1H-indol-3-ylidene)-2-methyl-1,4,5,6-tetrahydroindole-3-carboxamide?
The canonical SMILES for (7Z)-N-[2-(dimethylamino)ethyl]-7-(5-fluoro-2-oxo-1H-indol-3-ylidene)-2-methyl-1,4,5,6-tetrahydroindole-3-carboxamide is Cc1[nH]c2c(c1C(=O)NCCN(C)C)CCC/C2=C1/C(=O)Nc2ccc(F)cc21.
What is the InChIKey of (7Z)-N-[2-(dimethylamino)ethyl]-7-(5-fluoro-2-oxo-1H-indol-3-ylidene)-2-methyl-1,4,5,6-tetrahydroindole-3-carboxamide?
The InChIKey is CARLZFLTQJQGIP-CYVLTUHYSA-N. The full InChI is InChI=1S/C22H25FN4O2/c1-12-18(21(28)24-9-10-27(2)3)14-5-4-6-15(20(14)25-12)19-16-11-13(23)7-8-17(16)26-22(19)29/h7-8,11,25H,4-6,9-10H2,1-3H3,(H,24,28)(H,26,29)/b19-15-.
What are the key properties of (7Z)-N-[2-(dimethylamino)ethyl]-7-(5-fluoro-2-oxo-1H-indol-3-ylidene)-2-methyl-1,4,5,6-tetrahydroindole-3-carboxamide?
(7Z)-N-[2-(dimethylamino)ethyl]-7-(5-fluoro-2-oxo-1H-indol-3-ylidene)-2-methyl-1,4,5,6-tetrahydroindole-3-carboxamide has a molecular weight of 396.47 g/mol, XLogP of 2.95, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z)-N-[2-(dimethylamino)ethyl]-7-(5-fluoro-2-oxo-1H-indol-3-ylidene)-2-methyl-1,4,5,6-tetrahydroindole-3-carboxamide is sourced from PubChem (CID 59376014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).