5-methoxy-1-propan-2-yl-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)indole-3-carboxamide

C18H23N5O2 — CID 71703387

IUPAC5-methoxy-1-propan-2-yl-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)indole-3-carboxamide
SMILESCOc1ccc2c(c1)c(C(=O)Nc1n[nH]c(C(C)C)n1)cn2C(C)C
InChIInChI=1S/C18H23N5O2/c1-10(2)16-19-18(22-21-16)20-17(24)14-9-23(11(3)4)15-7-6-12(25-5)8-13(14)15/h6-11H,1-5H3,(H2,19,20,21,22,24)
InChIKeyRVLYQZLHENNROZ-UHFFFAOYSA-N
MW341.42 g/mol
LogP3.72
Rot. Bonds5

About 5-methoxy-1-propan-2-yl-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)indole-3-carboxamide

5-methoxy-1-propan-2-yl-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)indole-3-carboxamide (PubChem CID 71703387) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 5-methoxy-1-propan-2-yl-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)indole-3-carboxamide.

Molecular Properties

Compound Name5-methoxy-1-propan-2-yl-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)indole-3-carboxamide
PubChem CID71703387
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name5-methoxy-1-propan-2-yl-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)indole-3-carboxamide
SMILESCOc1ccc2c(c1)c(C(=O)Nc1n[nH]c(C(C)C)n1)cn2C(C)C
InChIInChI=1S/C18H23N5O2/c1-10(2)16-19-18(22-21-16)20-17(24)14-9-23(11(3)4)15-7-6-12(25-5)8-13(14)15/h6-11H,1-5H3,(H2,19,20,21,22,24)
InChIKeyRVLYQZLHENNROZ-UHFFFAOYSA-N
XLogP3.72
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(5-methoxyindol-1-yl)-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)propanamide
CID 71703790
1-(2-methoxyethyl)-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)indole-3-carboxamide
CID 71709068
5-methoxy-1-propan-2-yl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]indole-3-carboxamide
CID 71701709
N-[3-(1H-benzimidazol-2-yl)propyl]-5-methoxy-1-propan-2-ylindole-3-carboxamide
CID 71709732
2-[(2-methoxyphenyl)methyl]-1-oxo-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)isoquinoline-4-carboxamide
CID 91639662
1-oxo-2-phenyl-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)isoquinoline-4-carboxamide
CID 91641017
2-[4-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)carbamoyl]phenoxy]acetic acid
CID 167761393
2-(5-methoxy-1-propan-2-ylindol-3-yl)propanoic acid
CID 117121168
2,4-dimethoxy-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
CID 78928069
1-acetyl-5-methoxy-N-(2-methyl-6-propan-2-ylphenyl)indole-3-carboxamide
CID 113212789
N-[2-(5-methoxy-1-propan-2-ylindol-3-yl)ethyl]acetamide
CID 86078316
3-bromo-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)furan-2-carboxamide
CID 71975369

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-propan-2-yl-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)indole-3-carboxamide?
The IUPAC name of 5-methoxy-1-propan-2-yl-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)indole-3-carboxamide (CID 71703387) is 5-methoxy-1-propan-2-yl-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)indole-3-carboxamide.
What is the SMILES notation for 5-methoxy-1-propan-2-yl-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)indole-3-carboxamide?
The canonical SMILES for 5-methoxy-1-propan-2-yl-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)indole-3-carboxamide is COc1ccc2c(c1)c(C(=O)Nc1n[nH]c(C(C)C)n1)cn2C(C)C.
What is the InChIKey of 5-methoxy-1-propan-2-yl-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)indole-3-carboxamide?
The InChIKey is RVLYQZLHENNROZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-10(2)16-19-18(22-21-16)20-17(24)14-9-23(11(3)4)15-7-6-12(25-5)8-13(14)15/h6-11H,1-5H3,(H2,19,20,21,22,24).
What are the key properties of 5-methoxy-1-propan-2-yl-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)indole-3-carboxamide?
5-methoxy-1-propan-2-yl-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)indole-3-carboxamide has a molecular weight of 341.42 g/mol, XLogP of 3.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-propan-2-yl-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)indole-3-carboxamide is sourced from PubChem (CID 71703387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).