5-[[4-(2-fluorophenyl)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-N-[2-(tetrazol-1-yl)ethyl]-1H-pyrrole-3-carboxamide

C25H22FN7O2 — CID 72615520

IUPAC5-[[4-(2-fluorophenyl)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-N-[2-(tetrazol-1-yl)ethyl]-1H-pyrrole-3-carboxamide
SMILESCc1[nH]c(C=C2C(=O)Nc3cccc(-c4ccccc4F)c32)c(C)c1C(=O)NCCn1cnnn1
InChIInChI=1S/C25H22FN7O2/c1-14-21(29-15(2)22(14)25(35)27-10-11-33-13-28-31-32-33)12-18-23-17(16-6-3-4-8-19(16)26)7-5-9-20(23)30-24(18)34/h3-9,12-13,29H,10-11H2,1-2H3,(H,27,35)(H,30,34)
InChIKeyMOLYYYOMXQSSQQ-UHFFFAOYSA-N
MW471.50 g/mol
LogP3.35
Rot. Bonds6

About 5-[[4-(2-fluorophenyl)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-N-[2-(tetrazol-1-yl)ethyl]-1H-pyrrole-3-carboxamide

5-[[4-(2-fluorophenyl)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-N-[2-(tetrazol-1-yl)ethyl]-1H-pyrrole-3-carboxamide (PubChem CID 72615520) has the molecular formula C25H22FN7O2 and a molecular weight of 471.50 g/mol. Its IUPAC name is 5-[[4-(2-fluorophenyl)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-N-[2-(tetrazol-1-yl)ethyl]-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name5-[[4-(2-fluorophenyl)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-N-[2-(tetrazol-1-yl)ethyl]-1H-pyrrole-3-carboxamide
PubChem CID72615520
Molecular FormulaC25H22FN7O2
Molecular Weight471.50 g/mol
Exact Mass471.18
IUPAC Name5-[[4-(2-fluorophenyl)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-N-[2-(tetrazol-1-yl)ethyl]-1H-pyrrole-3-carboxamide
SMILESCc1[nH]c(C=C2C(=O)Nc3cccc(-c4ccccc4F)c32)c(C)c1C(=O)NCCn1cnnn1
InChIInChI=1S/C25H22FN7O2/c1-14-21(29-15(2)22(14)25(35)27-10-11-33-13-28-31-32-33)12-18-23-17(16-6-3-4-8-19(16)26)7-5-9-20(23)30-24(18)34/h3-9,12-13,29H,10-11H2,1-2H3,(H,27,35)(H,30,34)
InChIKeyMOLYYYOMXQSSQQ-UHFFFAOYSA-N
XLogP3.35
TPSA117.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.50
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-[[4-(3-chlorophenyl)-2-oxo-1H-indol-3-ylidene]methyl]-N-[2-(diethylamino)ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
CID 24941318
5-[[4-(4-methoxyphenyl)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-N-[2-(tetrazol-2-yl)ethyl]-1H-pyrrole-3-carboxamide
CID 72503370
N-[2-(dimethylamino)ethyl]-5-[[4-(3-fluorophenyl)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
CID 139993770
N-[2-(diethylamino)ethyl]-5-[[4-(4-methoxyphenyl)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
CID 24941347
N-(2-acetamidoethyl)-2,4-dimethyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide
CID 59069574
2,4-dimethyl-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide
CID 59069514
3-[[3,5-dimethyl-4-(2-morpholin-4-yl-2-oxoethyl)-1H-pyrrol-2-yl]methylidene]-4-(2-fluorophenyl)-1H-indol-2-one
CID 72637782
2,4-dimethyl-5-[(2-oxo-1H-indol-3-ylidene)methyl]-N-[2-(3-oxopiperazin-1-yl)ethyl]-1H-pyrrole-3-carboxamide
CID 72506409
N-[2-(diethylamino)ethyl]-5-[(Z)-[4-(2-methoxy-1,2,3,4-tetrahydropyrimidin-5-yl)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
CID 163910198
N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;ethane
CID 143583029
N-[2-(diethylamino)ethyl]-5-[(Z)-[5-fluoro-1-[5-methyl-2-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl]-2-oxoindol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
CID 155214995
(E)-but-2-enedioate;N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
CID 131734273

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(2-fluorophenyl)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-N-[2-(tetrazol-1-yl)ethyl]-1H-pyrrole-3-carboxamide?
The IUPAC name of 5-[[4-(2-fluorophenyl)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-N-[2-(tetrazol-1-yl)ethyl]-1H-pyrrole-3-carboxamide (CID 72615520) is 5-[[4-(2-fluorophenyl)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-N-[2-(tetrazol-1-yl)ethyl]-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 5-[[4-(2-fluorophenyl)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-N-[2-(tetrazol-1-yl)ethyl]-1H-pyrrole-3-carboxamide?
The canonical SMILES for 5-[[4-(2-fluorophenyl)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-N-[2-(tetrazol-1-yl)ethyl]-1H-pyrrole-3-carboxamide is Cc1[nH]c(C=C2C(=O)Nc3cccc(-c4ccccc4F)c32)c(C)c1C(=O)NCCn1cnnn1.
What is the InChIKey of 5-[[4-(2-fluorophenyl)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-N-[2-(tetrazol-1-yl)ethyl]-1H-pyrrole-3-carboxamide?
The InChIKey is MOLYYYOMXQSSQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN7O2/c1-14-21(29-15(2)22(14)25(35)27-10-11-33-13-28-31-32-33)12-18-23-17(16-6-3-4-8-19(16)26)7-5-9-20(23)30-24(18)34/h3-9,12-13,29H,10-11H2,1-2H3,(H,27,35)(H,30,34).
What are the key properties of 5-[[4-(2-fluorophenyl)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-N-[2-(tetrazol-1-yl)ethyl]-1H-pyrrole-3-carboxamide?
5-[[4-(2-fluorophenyl)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-N-[2-(tetrazol-1-yl)ethyl]-1H-pyrrole-3-carboxamide has a molecular weight of 471.50 g/mol, XLogP of 3.35, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(2-fluorophenyl)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-N-[2-(tetrazol-1-yl)ethyl]-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 72615520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).