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

C26H25N7O3 — CID 72503370

IUPAC5-[[4-(4-methoxyphenyl)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-N-[2-(tetrazol-2-yl)ethyl]-1H-pyrrole-3-carboxamide
SMILESCOc1ccc(-c2cccc3c2C(=Cc2[nH]c(C)c(C(=O)NCCn4ncnn4)c2C)C(=O)N3)cc1
InChIInChI=1S/C26H25N7O3/c1-15-22(30-16(2)23(15)26(35)27-11-12-33-29-14-28-32-33)13-20-24-19(5-4-6-21(24)31-25(20)34)17-7-9-18(36-3)10-8-17/h4-10,13-14,30H,11-12H2,1-3H3,(H,27,35)(H,31,34)
InChIKeyFBHTYMRLAIFFQJ-UHFFFAOYSA-N
MW483.53 g/mol
LogP3.22
Rot. Bonds7

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

5-[[4-(4-methoxyphenyl)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-N-[2-(tetrazol-2-yl)ethyl]-1H-pyrrole-3-carboxamide (PubChem CID 72503370) has the molecular formula C26H25N7O3 and a molecular weight of 483.53 g/mol. Its IUPAC name is 5-[[4-(4-methoxyphenyl)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-N-[2-(tetrazol-2-yl)ethyl]-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name5-[[4-(4-methoxyphenyl)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-N-[2-(tetrazol-2-yl)ethyl]-1H-pyrrole-3-carboxamide
PubChem CID72503370
Molecular FormulaC26H25N7O3
Molecular Weight483.53 g/mol
Exact Mass483.20
IUPAC Name5-[[4-(4-methoxyphenyl)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-N-[2-(tetrazol-2-yl)ethyl]-1H-pyrrole-3-carboxamide
SMILESCOc1ccc(-c2cccc3c2C(=Cc2[nH]c(C)c(C(=O)NCCn4ncnn4)c2C)C(=O)N3)cc1
InChIInChI=1S/C26H25N7O3/c1-15-22(30-16(2)23(15)26(35)27-11-12-33-29-14-28-32-33)13-20-24-19(5-4-6-21(24)31-25(20)34)17-7-9-18(36-3)10-8-17/h4-10,13-14,30H,11-12H2,1-3H3,(H,27,35)(H,31,34)
InChIKeyFBHTYMRLAIFFQJ-UHFFFAOYSA-N
XLogP3.22
TPSA126.82 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.53
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(diethylamino)ethyl]-5-[[4-(4-methoxyphenyl)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
CID 24941347
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
5-[[4-(3-chlorophenyl)-2-oxo-1H-indol-3-ylidene]methyl]-N-[2-(diethylamino)ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
CID 24941318
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-acetamidoethyl)-2,4-dimethyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide
CID 59069574
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-hydroxy-3-(tetrazol-2-yl)propyl]-2,4-dimethyl-5-[[2-oxo-5-(trifluoromethoxy)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide
CID 69065283
(3Z)-4-(4-chlorophenyl)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-1H-indol-2-one
CID 10162527
N-[2-(dimethylamino)ethyl]-5-[[6-(2-methoxyphenyl)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
CID 69106224
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
5-methyl-2-[[2-oxo-4-[4-(trifluoromethoxy)phenyl]-1H-indol-3-ylidene]methyl]-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrole-3-carboxamide
CID 72637570
2,4-dimethyl-5-[(2-oxo-1H-indol-3-ylidene)methyl]-N-[2-(3-oxopiperazin-1-yl)ethyl]-1H-pyrrole-3-carboxamide
CID 72506409

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(4-methoxyphenyl)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-N-[2-(tetrazol-2-yl)ethyl]-1H-pyrrole-3-carboxamide?
The IUPAC name of 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) is 5-[[4-(4-methoxyphenyl)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-N-[2-(tetrazol-2-yl)ethyl]-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 5-[[4-(4-methoxyphenyl)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-N-[2-(tetrazol-2-yl)ethyl]-1H-pyrrole-3-carboxamide?
The canonical SMILES for 5-[[4-(4-methoxyphenyl)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-N-[2-(tetrazol-2-yl)ethyl]-1H-pyrrole-3-carboxamide is COc1ccc(-c2cccc3c2C(=Cc2[nH]c(C)c(C(=O)NCCn4ncnn4)c2C)C(=O)N3)cc1.
What is the InChIKey of 5-[[4-(4-methoxyphenyl)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-N-[2-(tetrazol-2-yl)ethyl]-1H-pyrrole-3-carboxamide?
The InChIKey is FBHTYMRLAIFFQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N7O3/c1-15-22(30-16(2)23(15)26(35)27-11-12-33-29-14-28-32-33)13-20-24-19(5-4-6-21(24)31-25(20)34)17-7-9-18(36-3)10-8-17/h4-10,13-14,30H,11-12H2,1-3H3,(H,27,35)(H,31,34).
What are the key properties of 5-[[4-(4-methoxyphenyl)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-N-[2-(tetrazol-2-yl)ethyl]-1H-pyrrole-3-carboxamide?
5-[[4-(4-methoxyphenyl)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-N-[2-(tetrazol-2-yl)ethyl]-1H-pyrrole-3-carboxamide has a molecular weight of 483.53 g/mol, XLogP of 3.22, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(4-methoxyphenyl)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-N-[2-(tetrazol-2-yl)ethyl]-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 72503370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).