N-methyl-4-[2-[[(1R)-2-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-2-oxo-1-phenylethyl]amino]ethyl]benzamide;N-methyl-4-[2-[[(1S)-2-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-2-oxo-1-phenylethyl]amino]ethyl]benzamide

C60H58N10O4 — CID 157155462

IUPACN-methyl-4-[2-[[(1R)-2-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-2-oxo-1-phenylethyl]amino]ethyl]benzamide;N-methyl-4-[2-[[(1S)-2-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-2-oxo-1-phenylethyl]amino]ethyl]benzamide
SMILESCNC(=O)c1ccc(CCN[C@@H](C(=O)c2c[nH]c3cc(-c4cnn(C)c4)ccc23)c2ccccc2)cc1.CNC(=O)c1ccc(CCN[C@H](C(=O)c2c[nH]c3cc(-c4cnn(C)c4)ccc23)c2ccccc2)cc1
InChIInChI=1S/2C30H29N5O2/c2*1-31-30(37)22-10-8-20(9-11-22)14-15-32-28(21-6-4-3-5-7-21)29(36)26-18-33-27-16-23(12-13-25(26)27)24-17-34-35(2)19-24/h2*3-13,16-19,28,32-33H,14-15H2,1-2H3,(H,31,37)/t2*28-/m10/s1
InChIKeyALTGCRAHGKGQMY-LUXZWJPBSA-N
MW983.19 g/mol
LogP9.37
Rot. Bonds18

About N-methyl-4-[2-[[(1R)-2-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-2-oxo-1-phenylethyl]amino]ethyl]benzamide;N-methyl-4-[2-[[(1S)-2-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-2-oxo-1-phenylethyl]amino]ethyl]benzamide

N-methyl-4-[2-[[(1R)-2-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-2-oxo-1-phenylethyl]amino]ethyl]benzamide;N-methyl-4-[2-[[(1S)-2-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-2-oxo-1-phenylethyl]amino]ethyl]benzamide (PubChem CID 157155462) has the molecular formula C60H58N10O4 and a molecular weight of 983.19 g/mol. Its IUPAC name is N-methyl-4-[2-[[(1R)-2-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-2-oxo-1-phenylethyl]amino]ethyl]benzamide;N-methyl-4-[2-[[(1S)-2-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-2-oxo-1-phenylethyl]amino]ethyl]benzamide.

Molecular Properties

Compound NameN-methyl-4-[2-[[(1R)-2-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-2-oxo-1-phenylethyl]amino]ethyl]benzamide;N-methyl-4-[2-[[(1S)-2-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-2-oxo-1-phenylethyl]amino]ethyl]benzamide
PubChem CID157155462
Molecular FormulaC60H58N10O4
Molecular Weight983.19 g/mol
Exact Mass982.46
IUPAC NameN-methyl-4-[2-[[(1R)-2-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-2-oxo-1-phenylethyl]amino]ethyl]benzamide;N-methyl-4-[2-[[(1S)-2-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-2-oxo-1-phenylethyl]amino]ethyl]benzamide
SMILESCNC(=O)c1ccc(CCN[C@@H](C(=O)c2c[nH]c3cc(-c4cnn(C)c4)ccc23)c2ccccc2)cc1.CNC(=O)c1ccc(CCN[C@H](C(=O)c2c[nH]c3cc(-c4cnn(C)c4)ccc23)c2ccccc2)cc1
InChIInChI=1S/2C30H29N5O2/c2*1-31-30(37)22-10-8-20(9-11-22)14-15-32-28(21-6-4-3-5-7-21)29(36)26-18-33-27-16-23(12-13-25(26)27)24-17-34-35(2)19-24/h2*3-13,16-19,28,32-33H,14-15H2,1-2H3,(H,31,37)/t2*28-/m10/s1
InChIKeyALTGCRAHGKGQMY-LUXZWJPBSA-N
XLogP9.37
TPSA183.62 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds18
Heavy Atoms74
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500983.19
LogP ≤ 59.37
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

Analyze N-methyl-4-[2-[[(1R)-2-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-2-oxo-1-phenylethyl]amino]ethyl]benzamide;N-methyl-4-[2-[[(1S)-2-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-2-oxo-1-phenylethyl]amino]ethyl]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[2-[[(1R)-2-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-2-oxo-1-phenylethyl]amino]ethyl]benzamide;N-methyl-4-[2-[[(1S)-2-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-2-oxo-1-phenylethyl]amino]ethyl]benzamide?
The IUPAC name of N-methyl-4-[2-[[(1R)-2-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-2-oxo-1-phenylethyl]amino]ethyl]benzamide;N-methyl-4-[2-[[(1S)-2-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-2-oxo-1-phenylethyl]amino]ethyl]benzamide (CID 157155462) is N-methyl-4-[2-[[(1R)-2-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-2-oxo-1-phenylethyl]amino]ethyl]benzamide;N-methyl-4-[2-[[(1S)-2-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-2-oxo-1-phenylethyl]amino]ethyl]benzamide.
What is the SMILES notation for N-methyl-4-[2-[[(1R)-2-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-2-oxo-1-phenylethyl]amino]ethyl]benzamide;N-methyl-4-[2-[[(1S)-2-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-2-oxo-1-phenylethyl]amino]ethyl]benzamide?
The canonical SMILES for N-methyl-4-[2-[[(1R)-2-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-2-oxo-1-phenylethyl]amino]ethyl]benzamide;N-methyl-4-[2-[[(1S)-2-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-2-oxo-1-phenylethyl]amino]ethyl]benzamide is CNC(=O)c1ccc(CCN[C@@H](C(=O)c2c[nH]c3cc(-c4cnn(C)c4)ccc23)c2ccccc2)cc1.CNC(=O)c1ccc(CCN[C@H](C(=O)c2c[nH]c3cc(-c4cnn(C)c4)ccc23)c2ccccc2)cc1.
What is the InChIKey of N-methyl-4-[2-[[(1R)-2-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-2-oxo-1-phenylethyl]amino]ethyl]benzamide;N-methyl-4-[2-[[(1S)-2-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-2-oxo-1-phenylethyl]amino]ethyl]benzamide?
The InChIKey is ALTGCRAHGKGQMY-LUXZWJPBSA-N. The full InChI is InChI=1S/2C30H29N5O2/c2*1-31-30(37)22-10-8-20(9-11-22)14-15-32-28(21-6-4-3-5-7-21)29(36)26-18-33-27-16-23(12-13-25(26)27)24-17-34-35(2)19-24/h2*3-13,16-19,28,32-33H,14-15H2,1-2H3,(H,31,37)/t2*28-/m10/s1.
What are the key properties of N-methyl-4-[2-[[(1R)-2-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-2-oxo-1-phenylethyl]amino]ethyl]benzamide;N-methyl-4-[2-[[(1S)-2-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-2-oxo-1-phenylethyl]amino]ethyl]benzamide?
N-methyl-4-[2-[[(1R)-2-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-2-oxo-1-phenylethyl]amino]ethyl]benzamide;N-methyl-4-[2-[[(1S)-2-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-2-oxo-1-phenylethyl]amino]ethyl]benzamide has a molecular weight of 983.19 g/mol, XLogP of 9.37, 18 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[2-[[(1R)-2-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-2-oxo-1-phenylethyl]amino]ethyl]benzamide;N-methyl-4-[2-[[(1S)-2-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-2-oxo-1-phenylethyl]amino]ethyl]benzamide is sourced from PubChem (CID 157155462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).