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

C25H23FN4O2 — CID 59376082

IUPAC(7Z)-7-(5-fluoro-2-oxo-1H-indol-3-ylidene)-2-methyl-N-(2-pyridin-2-ylethyl)-1,4,5,6-tetrahydroindole-3-carboxamide
SMILESCc1[nH]c2c(c1C(=O)NCCc1ccccn1)CCC/C2=C1/C(=O)Nc2ccc(F)cc21
InChIInChI=1S/C25H23FN4O2/c1-14-21(24(31)28-12-10-16-5-2-3-11-27-16)17-6-4-7-18(23(17)29-14)22-19-13-15(26)8-9-20(19)30-25(22)32/h2-3,5,8-9,11,13,29H,4,6-7,10,12H2,1H3,(H,28,31)(H,30,32)/b22-18-
InChIKeyOIXCGPYMAZCOHK-PYCFMQQDSA-N
MW430.48 g/mol
LogP4.03
Rot. Bonds4

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

(7Z)-7-(5-fluoro-2-oxo-1H-indol-3-ylidene)-2-methyl-N-(2-pyridin-2-ylethyl)-1,4,5,6-tetrahydroindole-3-carboxamide (PubChem CID 59376082) has the molecular formula C25H23FN4O2 and a molecular weight of 430.48 g/mol. Its IUPAC name is (7Z)-7-(5-fluoro-2-oxo-1H-indol-3-ylidene)-2-methyl-N-(2-pyridin-2-ylethyl)-1,4,5,6-tetrahydroindole-3-carboxamide.

Molecular Properties

Compound Name(7Z)-7-(5-fluoro-2-oxo-1H-indol-3-ylidene)-2-methyl-N-(2-pyridin-2-ylethyl)-1,4,5,6-tetrahydroindole-3-carboxamide
PubChem CID59376082
Molecular FormulaC25H23FN4O2
Molecular Weight430.48 g/mol
Exact Mass430.18
IUPAC Name(7Z)-7-(5-fluoro-2-oxo-1H-indol-3-ylidene)-2-methyl-N-(2-pyridin-2-ylethyl)-1,4,5,6-tetrahydroindole-3-carboxamide
SMILESCc1[nH]c2c(c1C(=O)NCCc1ccccn1)CCC/C2=C1/C(=O)Nc2ccc(F)cc21
InChIInChI=1S/C25H23FN4O2/c1-14-21(24(31)28-12-10-16-5-2-3-11-27-16)17-6-4-7-18(23(17)29-14)22-19-13-15(26)8-9-20(19)30-25(22)32/h2-3,5,8-9,11,13,29H,4,6-7,10,12H2,1H3,(H,28,31)(H,30,32)/b22-18-
InChIKeyOIXCGPYMAZCOHK-PYCFMQQDSA-N
XLogP4.03
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.48
LogP ≤ 54.03
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)-7-(5-fluoro-2-oxo-1H-indol-3-ylidene)-2-methyl-N-(2-pyridin-2-ylethyl)-1,4,5,6-tetrahydroindole-3-carboxamide?
The IUPAC name of (7Z)-7-(5-fluoro-2-oxo-1H-indol-3-ylidene)-2-methyl-N-(2-pyridin-2-ylethyl)-1,4,5,6-tetrahydroindole-3-carboxamide (CID 59376082) is (7Z)-7-(5-fluoro-2-oxo-1H-indol-3-ylidene)-2-methyl-N-(2-pyridin-2-ylethyl)-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-(2-pyridin-2-ylethyl)-1,4,5,6-tetrahydroindole-3-carboxamide?
The canonical SMILES for (7Z)-7-(5-fluoro-2-oxo-1H-indol-3-ylidene)-2-methyl-N-(2-pyridin-2-ylethyl)-1,4,5,6-tetrahydroindole-3-carboxamide is Cc1[nH]c2c(c1C(=O)NCCc1ccccn1)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-(2-pyridin-2-ylethyl)-1,4,5,6-tetrahydroindole-3-carboxamide?
The InChIKey is OIXCGPYMAZCOHK-PYCFMQQDSA-N. The full InChI is InChI=1S/C25H23FN4O2/c1-14-21(24(31)28-12-10-16-5-2-3-11-27-16)17-6-4-7-18(23(17)29-14)22-19-13-15(26)8-9-20(19)30-25(22)32/h2-3,5,8-9,11,13,29H,4,6-7,10,12H2,1H3,(H,28,31)(H,30,32)/b22-18-.
What are the key properties of (7Z)-7-(5-fluoro-2-oxo-1H-indol-3-ylidene)-2-methyl-N-(2-pyridin-2-ylethyl)-1,4,5,6-tetrahydroindole-3-carboxamide?
(7Z)-7-(5-fluoro-2-oxo-1H-indol-3-ylidene)-2-methyl-N-(2-pyridin-2-ylethyl)-1,4,5,6-tetrahydroindole-3-carboxamide has a molecular weight of 430.48 g/mol, XLogP of 4.03, 4 rotatable bonds, 3 hydrogen bond donors, and 3 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-(2-pyridin-2-ylethyl)-1,4,5,6-tetrahydroindole-3-carboxamide is sourced from PubChem (CID 59376082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).