1-acetyl-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]pyrrolidine-2-carboxamide

C29H26N4O3 — CID 134137572

IUPAC1-acetyl-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]pyrrolidine-2-carboxamide
SMILESCC(=O)N1CCCC1C(=O)Nc1cccc(C(=O)c2ccc3c(/C=C/c4ccccc4)n[nH]c3c2)c1
InChIInChI=1S/C29H26N4O3/c1-19(34)33-16-6-11-27(33)29(36)30-23-10-5-9-21(17-23)28(35)22-13-14-24-25(31-32-26(24)18-22)15-12-20-7-3-2-4-8-20/h2-5,7-10,12-15,17-18,27H,6,11,16H2,1H3,(H,30,36)(H,31,32)/b15-12+
InChIKeyVTZCNHYFEQAFGK-NTCAYCPXSA-N
MW478.55 g/mol
LogP4.91
Rot. Bonds6

About 1-acetyl-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]pyrrolidine-2-carboxamide

1-acetyl-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]pyrrolidine-2-carboxamide (PubChem CID 134137572) has the molecular formula C29H26N4O3 and a molecular weight of 478.55 g/mol. Its IUPAC name is 1-acetyl-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]pyrrolidine-2-carboxamide
PubChem CID134137572
Molecular FormulaC29H26N4O3
Molecular Weight478.55 g/mol
Exact Mass478.20
IUPAC Name1-acetyl-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]pyrrolidine-2-carboxamide
SMILESCC(=O)N1CCCC1C(=O)Nc1cccc(C(=O)c2ccc3c(/C=C/c4ccccc4)n[nH]c3c2)c1
InChIInChI=1S/C29H26N4O3/c1-19(34)33-16-6-11-27(33)29(36)30-23-10-5-9-21(17-23)28(35)22-13-14-24-25(31-32-26(24)18-22)15-12-20-7-3-2-4-8-20/h2-5,7-10,12-15,17-18,27H,6,11,16H2,1H3,(H,30,36)(H,31,32)/b15-12+
InChIKeyVTZCNHYFEQAFGK-NTCAYCPXSA-N
XLogP4.91
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.55
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(E)-2-methyl-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]but-2-enamide
CID 134151491
(2R)-2-hydroxy-3,3-dimethyl-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]butanamide
CID 134138437
N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]-1,2-oxazole-4-carboxamide
CID 69370068
N-[3-[3-(2-phenylethenyl)-1H-indazole-6-carbonyl]phenyl]-2-pyridin-2-ylacetamide
CID 91592587
2-(2-methylphenyl)-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]butanamide
CID 134146773
4-oxo-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]pyran-2-carboxamide
CID 134145225
(2S)-1-acetyl-N-(3-chlorophenyl)pyrrolidine-2-carboxamide
CID 91903420
2-methyl-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]amino]phenyl]propanamide
CID 134148392
(2S)-1-acetyl-N-[4-[2-[4-[[(2S)-1-(2-pyridin-4-ylacetyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide
CID 90752777
6-hydroxy-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 134135011
1-acetyl-N-[4-[3-[4-[(1-acetylpyrrolidine-2-carbonyl)amino]phenyl]-1H-pyrazol-5-yl]phenyl]pyrrolidine-2-carboxamide
CID 172736681
(2S)-1-acetyl-N-pyridin-3-ylpyrrolidine-2-carboxamide
CID 51089557

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-acetyl-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]pyrrolidine-2-carboxamide (CID 134137572) is 1-acetyl-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-acetyl-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-acetyl-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]pyrrolidine-2-carboxamide is CC(=O)N1CCCC1C(=O)Nc1cccc(C(=O)c2ccc3c(/C=C/c4ccccc4)n[nH]c3c2)c1.
What is the InChIKey of 1-acetyl-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]pyrrolidine-2-carboxamide?
The InChIKey is VTZCNHYFEQAFGK-NTCAYCPXSA-N. The full InChI is InChI=1S/C29H26N4O3/c1-19(34)33-16-6-11-27(33)29(36)30-23-10-5-9-21(17-23)28(35)22-13-14-24-25(31-32-26(24)18-22)15-12-20-7-3-2-4-8-20/h2-5,7-10,12-15,17-18,27H,6,11,16H2,1H3,(H,30,36)(H,31,32)/b15-12+.
What are the key properties of 1-acetyl-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]pyrrolidine-2-carboxamide?
1-acetyl-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]pyrrolidine-2-carboxamide has a molecular weight of 478.55 g/mol, XLogP of 4.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 134137572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).