N-[(3,5-dimethyl-2-phenyl-1H-indol-7-yl)methyl]-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpropanamide

C25H29N5O — CID 70731563

IUPACN-[(3,5-dimethyl-2-phenyl-1H-indol-7-yl)methyl]-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpropanamide
SMILESCc1cc(CNC(=O)C(C)Cn2nc(C)nc2C)c2[nH]c(-c3ccccc3)c(C)c2c1
InChIInChI=1S/C25H29N5O/c1-15-11-21(13-26-25(31)16(2)14-30-19(5)27-18(4)29-30)24-22(12-15)17(3)23(28-24)20-9-7-6-8-10-20/h6-12,16,28H,13-14H2,1-5H3,(H,26,31)
InChIKeyGMPJSIYLGCVEIV-UHFFFAOYSA-N
MW415.54 g/mol
LogP4.61
Rot. Bonds6

About N-[(3,5-dimethyl-2-phenyl-1H-indol-7-yl)methyl]-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpropanamide

N-[(3,5-dimethyl-2-phenyl-1H-indol-7-yl)methyl]-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpropanamide (PubChem CID 70731563) has the molecular formula C25H29N5O and a molecular weight of 415.54 g/mol. Its IUPAC name is N-[(3,5-dimethyl-2-phenyl-1H-indol-7-yl)methyl]-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpropanamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-2-phenyl-1H-indol-7-yl)methyl]-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpropanamide
PubChem CID70731563
Molecular FormulaC25H29N5O
Molecular Weight415.54 g/mol
Exact Mass415.24
IUPAC NameN-[(3,5-dimethyl-2-phenyl-1H-indol-7-yl)methyl]-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpropanamide
SMILESCc1cc(CNC(=O)C(C)Cn2nc(C)nc2C)c2[nH]c(-c3ccccc3)c(C)c2c1
InChIInChI=1S/C25H29N5O/c1-15-11-21(13-26-25(31)16(2)14-30-19(5)27-18(4)29-30)24-22(12-15)17(3)23(28-24)20-9-7-6-8-10-20/h6-12,16,28H,13-14H2,1-5H3,(H,26,31)
InChIKeyGMPJSIYLGCVEIV-UHFFFAOYSA-N
XLogP4.61
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[(1R)-1-{4-[(4-ethylphenyl)methyl]-5-(2-phenylethyl)-4H-1,2,4-triazol-3-yl}-2-(1H-indol-3-yl)ethyl]acetamide
CID 23648232
2-amino-N-[(1R)-2-(1H-indol-3-yl)-1-[4-phenyl-5-(2-phenylethyl)-4H-1,2,4-triazol-3-yl]ethyl]acetamide
CID 23648233
(2S)-2-amino-N-[(1R)-1-{4-[(4-ethylphenyl)methyl]-5-(2-phenylethyl)-4H-1,2,4-triazol-3-yl}-2-(1H-indol-3-yl)ethyl]propanamide
CID 23648238
Methyl-((S)-1-phenyl-ethyl)-{(R)-1-[2-(5-[1,2,4]triazol-1-ylmethyl-1H-indol-3-yl)-ethyl]-pyrrolidin-3-ylmethyl}-amine
CID 10670879
2-[4-Allyl-5-(2-methyl-1H-indol-3-ylmethyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-N-(4-fluoro-benzyl)-acetamide
CID 1094856
N,N-dimethyl-2-[5-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1H-indol-3-yl]ethanamine
CID 10016692
N,N-dimethyl-2-[5-[(2-methyl-1,2,4-triazol-3-yl)methyl]-1H-indol-3-yl]ethanamine
CID 10379100
N-{4-[({(S)-1-[2-(5-[1,2,4]Triazol-4-yl-1H-indol-3-yl)-ethyl]-pyrrolidin-3-ylmethyl}-amino)-methyl]-phenyl}-acetamide
CID 10718668
Benzyl-{(S)-1-[2-(5-[1,2,4]triazol-1-ylmethyl-1H-indol-3-yl)-ethyl]-pyrrolidin-3-ylmethyl}-amine
CID 11796081
((S)-1-Phenyl-ethyl)-{(S)-1-[2-(5-[1,2,4]triazol-1-ylmethyl-1H-indol-3-yl)-ethyl]-pyrrolidin-3-ylmethyl}-amine
CID 11796807
(R)-N-(1-(4-(2-(1H-indol-3-yl)ethyl)-4H-1,2,4-triazol-3-yl)-2-(1H-indol-3-yl)ethyl)-2-amino-2-methylpropanamide
CID 16113474
(R)-N-(1-(5-(2-(1H-indol-3-yl)ethyl)-4-methyl-4H-1,2,4-triazol-3-yl)-2-(1H-indol-3-yl)ethyl)-2-amino-2-methylpropanamide
CID 16113583

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-2-phenyl-1H-indol-7-yl)methyl]-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpropanamide?
The IUPAC name of N-[(3,5-dimethyl-2-phenyl-1H-indol-7-yl)methyl]-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpropanamide (CID 70731563) is N-[(3,5-dimethyl-2-phenyl-1H-indol-7-yl)methyl]-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpropanamide.
What is the SMILES notation for N-[(3,5-dimethyl-2-phenyl-1H-indol-7-yl)methyl]-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpropanamide?
The canonical SMILES for N-[(3,5-dimethyl-2-phenyl-1H-indol-7-yl)methyl]-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpropanamide is Cc1cc(CNC(=O)C(C)Cn2nc(C)nc2C)c2[nH]c(-c3ccccc3)c(C)c2c1.
What is the InChIKey of N-[(3,5-dimethyl-2-phenyl-1H-indol-7-yl)methyl]-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpropanamide?
The InChIKey is GMPJSIYLGCVEIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O/c1-15-11-21(13-26-25(31)16(2)14-30-19(5)27-18(4)29-30)24-22(12-15)17(3)23(28-24)20-9-7-6-8-10-20/h6-12,16,28H,13-14H2,1-5H3,(H,26,31).
What are the key properties of N-[(3,5-dimethyl-2-phenyl-1H-indol-7-yl)methyl]-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpropanamide?
N-[(3,5-dimethyl-2-phenyl-1H-indol-7-yl)methyl]-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpropanamide has a molecular weight of 415.54 g/mol, XLogP of 4.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-2-phenyl-1H-indol-7-yl)methyl]-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpropanamide is sourced from PubChem (CID 70731563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).