5-methoxy-1-propan-2-yl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]indole-3-carboxamide

C22H23N5O2 — CID 71701709

IUPAC5-methoxy-1-propan-2-yl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]indole-3-carboxamide
SMILESCOc1ccc2c(c1)c(C(=O)Nc1ccc(Cn3cncn3)cc1)cn2C(C)C
InChIInChI=1S/C22H23N5O2/c1-15(2)27-12-20(19-10-18(29-3)8-9-21(19)27)22(28)25-17-6-4-16(5-7-17)11-26-14-23-13-24-26/h4-10,12-15H,11H2,1-3H3,(H,25,28)
InChIKeyDJEIMLIGZAEDRB-UHFFFAOYSA-N
MW389.46 g/mol
LogP4.12
Rot. Bonds6

About 5-methoxy-1-propan-2-yl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]indole-3-carboxamide

5-methoxy-1-propan-2-yl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]indole-3-carboxamide (PubChem CID 71701709) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is 5-methoxy-1-propan-2-yl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]indole-3-carboxamide.

Molecular Properties

Compound Name5-methoxy-1-propan-2-yl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]indole-3-carboxamide
PubChem CID71701709
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name5-methoxy-1-propan-2-yl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]indole-3-carboxamide
SMILESCOc1ccc2c(c1)c(C(=O)Nc1ccc(Cn3cncn3)cc1)cn2C(C)C
InChIInChI=1S/C22H23N5O2/c1-15(2)27-12-20(19-10-18(29-3)8-9-21(19)27)22(28)25-17-6-4-16(5-7-17)11-26-14-23-13-24-26/h4-10,12-15H,11H2,1-3H3,(H,25,28)
InChIKeyDJEIMLIGZAEDRB-UHFFFAOYSA-N
XLogP4.12
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-methoxy-2-(4-methoxyphenyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide;hydrochloride
CID 171667402
1-propan-2-yl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]indole-6-carboxamide
CID 71706483
2-(2,5-dimethoxyphenyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide
CID 78860159
3-(3-methoxyphenyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
CID 31959825
5-methoxy-1-propan-2-yl-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)indole-3-carboxamide
CID 71703387
5,6-dimethoxy-1-methyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]indole-2-carboxamide
CID 71829408
3-(4-methoxyphenyl)sulfanyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
CID 31959778
N-[4-(methylcarbamoyl)phenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 24603454
2-(4-fluorophenoxy)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
CID 42955508
(2S)-2-(4-fluorophenoxy)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
CID 36518284
(2S)-N-(4-methoxyphenyl)-2-methyl-3-(1,2,4-triazol-1-yl)propanamide
CID 42563469
N-(4-tert-butylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 51306669

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-propan-2-yl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]indole-3-carboxamide?
The IUPAC name of 5-methoxy-1-propan-2-yl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]indole-3-carboxamide (CID 71701709) is 5-methoxy-1-propan-2-yl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]indole-3-carboxamide.
What is the SMILES notation for 5-methoxy-1-propan-2-yl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]indole-3-carboxamide?
The canonical SMILES for 5-methoxy-1-propan-2-yl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]indole-3-carboxamide is COc1ccc2c(c1)c(C(=O)Nc1ccc(Cn3cncn3)cc1)cn2C(C)C.
What is the InChIKey of 5-methoxy-1-propan-2-yl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]indole-3-carboxamide?
The InChIKey is DJEIMLIGZAEDRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-15(2)27-12-20(19-10-18(29-3)8-9-21(19)27)22(28)25-17-6-4-16(5-7-17)11-26-14-23-13-24-26/h4-10,12-15H,11H2,1-3H3,(H,25,28).
What are the key properties of 5-methoxy-1-propan-2-yl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]indole-3-carboxamide?
5-methoxy-1-propan-2-yl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]indole-3-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-propan-2-yl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]indole-3-carboxamide is sourced from PubChem (CID 71701709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).