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

C24H33FN4O2 — CID 131991673

IUPACN-[2-(diethylamino)ethyl]-5-[(3-ethyl-5-fluoro-2-oxo-1H-indol-3-yl)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
SMILESCCN(CC)CCNC(=O)c1c(C)[nH]c(CC2(CC)C(=O)Nc3ccc(F)cc32)c1C
InChIInChI=1S/C24H33FN4O2/c1-6-24(18-13-17(25)9-10-19(18)28-23(24)31)14-20-15(4)21(16(5)27-20)22(30)26-11-12-29(7-2)8-3/h9-10,13,27H,6-8,11-12,14H2,1-5H3,(H,26,30)(H,28,31)
InChIKeyQOSANBMEZHKVKB-UHFFFAOYSA-N
MW428.55 g/mol
LogP3.68
Rot. Bonds9

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

N-[2-(diethylamino)ethyl]-5-[(3-ethyl-5-fluoro-2-oxo-1H-indol-3-yl)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide (PubChem CID 131991673) has the molecular formula C24H33FN4O2 and a molecular weight of 428.55 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-5-[(3-ethyl-5-fluoro-2-oxo-1H-indol-3-yl)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-5-[(3-ethyl-5-fluoro-2-oxo-1H-indol-3-yl)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
PubChem CID131991673
Molecular FormulaC24H33FN4O2
Molecular Weight428.55 g/mol
Exact Mass428.26
IUPAC NameN-[2-(diethylamino)ethyl]-5-[(3-ethyl-5-fluoro-2-oxo-1H-indol-3-yl)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
SMILESCCN(CC)CCNC(=O)c1c(C)[nH]c(CC2(CC)C(=O)Nc3ccc(F)cc32)c1C
InChIInChI=1S/C24H33FN4O2/c1-6-24(18-13-17(25)9-10-19(18)28-23(24)31)14-20-15(4)21(16(5)27-20)22(30)26-11-12-29(7-2)8-3/h9-10,13,27H,6-8,11-12,14H2,1-5H3,(H,26,30)(H,28,31)
InChIKeyQOSANBMEZHKVKB-UHFFFAOYSA-N
XLogP3.68
TPSA77.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.55
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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-(6-fluoro-2-oxo-1,1a,3,7b-tetrahydrocyclopropa[c]quinolin-1-yl)-2,4-dimethyl-1H-pyrrole-3-carboxamide
CID 163895816
(Z)-but-2-enedioic acid;N-[2-(diethylamino)ethyl]-5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
CID 162335139
(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
N-[2-(diethylamino)ethyl]-5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
CID 87930192
N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;(2R)-2-hydroxybutanoic acid
CID 160538632
CID 164935595
CID 164935595
N-[2-(diethylamino)ethyl]-5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;2-hydroxybenzoic acid
CID 67511624
N-[2-[ethyl(methyl)amino]ethyl]-5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
CID 91295175
N-[2-(diethylamino)ethyl]-5-[(Z)-[5-fluoro-2-oxo-1-(4-oxobutanoyl)indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
CID 168722197
5-[(5-bromo-2-oxo-1H-indol-3-ylidene)methyl]-N-[2-(diethylamino)ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
CID 67282170
2-[(3Z)-3-[[4-[2-(diethylamino)ethylcarbamoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-5-fluoroindol-2-yl]oxyacetic acid
CID 156809688

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-5-[(3-ethyl-5-fluoro-2-oxo-1H-indol-3-yl)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-5-[(3-ethyl-5-fluoro-2-oxo-1H-indol-3-yl)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide (CID 131991673) is N-[2-(diethylamino)ethyl]-5-[(3-ethyl-5-fluoro-2-oxo-1H-indol-3-yl)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-5-[(3-ethyl-5-fluoro-2-oxo-1H-indol-3-yl)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-5-[(3-ethyl-5-fluoro-2-oxo-1H-indol-3-yl)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide is CCN(CC)CCNC(=O)c1c(C)[nH]c(CC2(CC)C(=O)Nc3ccc(F)cc32)c1C.
What is the InChIKey of N-[2-(diethylamino)ethyl]-5-[(3-ethyl-5-fluoro-2-oxo-1H-indol-3-yl)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide?
The InChIKey is QOSANBMEZHKVKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33FN4O2/c1-6-24(18-13-17(25)9-10-19(18)28-23(24)31)14-20-15(4)21(16(5)27-20)22(30)26-11-12-29(7-2)8-3/h9-10,13,27H,6-8,11-12,14H2,1-5H3,(H,26,30)(H,28,31).
What are the key properties of N-[2-(diethylamino)ethyl]-5-[(3-ethyl-5-fluoro-2-oxo-1H-indol-3-yl)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide?
N-[2-(diethylamino)ethyl]-5-[(3-ethyl-5-fluoro-2-oxo-1H-indol-3-yl)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide has a molecular weight of 428.55 g/mol, XLogP of 3.68, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-5-[(3-ethyl-5-fluoro-2-oxo-1H-indol-3-yl)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 131991673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).