3-[4-[[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]carbamoyl]phenyl]-5-phenyl-1H-indole-7-carboxamide

C34H33N5O3 — CID 59828948

IUPAC3-[4-[[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]carbamoyl]phenyl]-5-phenyl-1H-indole-7-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(-c3c[nH]c4c(C(N)=O)cc(-c5ccccc5)cc34)cc2)cc1N1CCN(C)CC1
InChIInChI=1S/C34H33N5O3/c1-38-14-16-39(17-15-38)30-20-26(12-13-31(30)42-2)37-34(41)24-10-8-23(9-11-24)29-21-36-32-27(29)18-25(19-28(32)33(35)40)22-6-4-3-5-7-22/h3-13,18-21,36H,14-17H2,1-2H3,(H2,35,40)(H,37,41)
InChIKeySTPMFRXKOZCBAM-UHFFFAOYSA-N
MW559.67 g/mol
LogP5.61
Rot. Bonds7

About 3-[4-[[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]carbamoyl]phenyl]-5-phenyl-1H-indole-7-carboxamide

3-[4-[[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]carbamoyl]phenyl]-5-phenyl-1H-indole-7-carboxamide (PubChem CID 59828948) has the molecular formula C34H33N5O3 and a molecular weight of 559.67 g/mol. Its IUPAC name is 3-[4-[[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]carbamoyl]phenyl]-5-phenyl-1H-indole-7-carboxamide.

Molecular Properties

Compound Name3-[4-[[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]carbamoyl]phenyl]-5-phenyl-1H-indole-7-carboxamide
PubChem CID59828948
Molecular FormulaC34H33N5O3
Molecular Weight559.67 g/mol
Exact Mass559.26
IUPAC Name3-[4-[[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]carbamoyl]phenyl]-5-phenyl-1H-indole-7-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(-c3c[nH]c4c(C(N)=O)cc(-c5ccccc5)cc34)cc2)cc1N1CCN(C)CC1
InChIInChI=1S/C34H33N5O3/c1-38-14-16-39(17-15-38)30-20-26(12-13-31(30)42-2)37-34(41)24-10-8-23(9-11-24)29-21-36-32-27(29)18-25(19-28(32)33(35)40)22-6-4-3-5-7-22/h3-13,18-21,36H,14-17H2,1-2H3,(H2,35,40)(H,37,41)
InChIKeySTPMFRXKOZCBAM-UHFFFAOYSA-N
XLogP5.61
TPSA103.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.67
LogP ≤ 55.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-amino-3-[amino(hydroxy)methyl]-5-phenylphenyl]-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 143419282
N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 22459288
4-fluoro-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 18940679
N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-[7-[4-[[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]carbamoyl]phenoxy]heptoxy]benzamide;oxalic acid
CID 44533107
4-[2-chloro-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 19007040
N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-[2-methyl-4-(5-methyl-1,2-dihydrotriazol-3-yl)phenyl]benzamide
CID 67878356
4-[4-[[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]carbamoyl]phenyl]-N,3-dimethyl-N-(1-methylpyrrolidin-2-yl)benzamide
CID 70218330
N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-3-methyl-4-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 18960586
N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide;dihydrochloride
CID 24848519
but-2-enedioic acid;4-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-3-methylbenzamide
CID 159842364
N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-[4-[[(3-methoxy-2-oxopropyl)amino]methyl]-2-methylphenyl]benzamide
CID 18960599
N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-phenylbenzenesulfonamide
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Frequently Asked Questions

What is the IUPAC name of 3-[4-[[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]carbamoyl]phenyl]-5-phenyl-1H-indole-7-carboxamide?
The IUPAC name of 3-[4-[[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]carbamoyl]phenyl]-5-phenyl-1H-indole-7-carboxamide (CID 59828948) is 3-[4-[[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]carbamoyl]phenyl]-5-phenyl-1H-indole-7-carboxamide.
What is the SMILES notation for 3-[4-[[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]carbamoyl]phenyl]-5-phenyl-1H-indole-7-carboxamide?
The canonical SMILES for 3-[4-[[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]carbamoyl]phenyl]-5-phenyl-1H-indole-7-carboxamide is COc1ccc(NC(=O)c2ccc(-c3c[nH]c4c(C(N)=O)cc(-c5ccccc5)cc34)cc2)cc1N1CCN(C)CC1.
What is the InChIKey of 3-[4-[[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]carbamoyl]phenyl]-5-phenyl-1H-indole-7-carboxamide?
The InChIKey is STPMFRXKOZCBAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H33N5O3/c1-38-14-16-39(17-15-38)30-20-26(12-13-31(30)42-2)37-34(41)24-10-8-23(9-11-24)29-21-36-32-27(29)18-25(19-28(32)33(35)40)22-6-4-3-5-7-22/h3-13,18-21,36H,14-17H2,1-2H3,(H2,35,40)(H,37,41).
What are the key properties of 3-[4-[[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]carbamoyl]phenyl]-5-phenyl-1H-indole-7-carboxamide?
3-[4-[[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]carbamoyl]phenyl]-5-phenyl-1H-indole-7-carboxamide has a molecular weight of 559.67 g/mol, XLogP of 5.61, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]carbamoyl]phenyl]-5-phenyl-1H-indole-7-carboxamide is sourced from PubChem (CID 59828948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).