3-(6,7-difluoro-3-imidazol-1-yl-5-methoxy-1-methylindol-2-yl)-N,N-dimethyl-1H-1,2,4-triazole-5-carboxamide

C18H17F2N7O2 — CID 164549123

IUPAC3-(6,7-difluoro-3-imidazol-1-yl-5-methoxy-1-methylindol-2-yl)-N,N-dimethyl-1H-1,2,4-triazole-5-carboxamide
SMILESCOc1cc2c(-n3ccnc3)c(-c3n[nH]c(C(=O)N(C)C)n3)n(C)c2c(F)c1F
InChIInChI=1S/C18H17F2N7O2/c1-25(2)18(28)17-22-16(23-24-17)15-14(27-6-5-21-8-27)9-7-10(29-4)11(19)12(20)13(9)26(15)3/h5-8H,1-4H3,(H,22,23,24)
InChIKeyURVJGKJJLNLNAI-UHFFFAOYSA-N
MW401.38 g/mol
LogP2.14
Rot. Bonds4

About 3-(6,7-difluoro-3-imidazol-1-yl-5-methoxy-1-methylindol-2-yl)-N,N-dimethyl-1H-1,2,4-triazole-5-carboxamide

3-(6,7-difluoro-3-imidazol-1-yl-5-methoxy-1-methylindol-2-yl)-N,N-dimethyl-1H-1,2,4-triazole-5-carboxamide (PubChem CID 164549123) has the molecular formula C18H17F2N7O2 and a molecular weight of 401.38 g/mol. Its IUPAC name is 3-(6,7-difluoro-3-imidazol-1-yl-5-methoxy-1-methylindol-2-yl)-N,N-dimethyl-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound Name3-(6,7-difluoro-3-imidazol-1-yl-5-methoxy-1-methylindol-2-yl)-N,N-dimethyl-1H-1,2,4-triazole-5-carboxamide
PubChem CID164549123
Molecular FormulaC18H17F2N7O2
Molecular Weight401.38 g/mol
Exact Mass401.14
IUPAC Name3-(6,7-difluoro-3-imidazol-1-yl-5-methoxy-1-methylindol-2-yl)-N,N-dimethyl-1H-1,2,4-triazole-5-carboxamide
SMILESCOc1cc2c(-n3ccnc3)c(-c3n[nH]c(C(=O)N(C)C)n3)n(C)c2c(F)c1F
InChIInChI=1S/C18H17F2N7O2/c1-25(2)18(28)17-22-16(23-24-17)15-14(27-6-5-21-8-27)9-7-10(29-4)11(19)12(20)13(9)26(15)3/h5-8H,1-4H3,(H,22,23,24)
InChIKeyURVJGKJJLNLNAI-UHFFFAOYSA-N
XLogP2.14
TPSA93.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.38
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-(6,7-difluoro-3-imidazol-1-yl-5-methoxy-1-methylindol-2-yl)-N,N-dimethyl-1H-1,2,4-triazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(6,7-difluoro-3-imidazol-1-yl-5-methoxy-1-methylindol-2-yl)-N,N-dimethyl-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of 3-(6,7-difluoro-3-imidazol-1-yl-5-methoxy-1-methylindol-2-yl)-N,N-dimethyl-1H-1,2,4-triazole-5-carboxamide (CID 164549123) is 3-(6,7-difluoro-3-imidazol-1-yl-5-methoxy-1-methylindol-2-yl)-N,N-dimethyl-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for 3-(6,7-difluoro-3-imidazol-1-yl-5-methoxy-1-methylindol-2-yl)-N,N-dimethyl-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for 3-(6,7-difluoro-3-imidazol-1-yl-5-methoxy-1-methylindol-2-yl)-N,N-dimethyl-1H-1,2,4-triazole-5-carboxamide is COc1cc2c(-n3ccnc3)c(-c3n[nH]c(C(=O)N(C)C)n3)n(C)c2c(F)c1F.
What is the InChIKey of 3-(6,7-difluoro-3-imidazol-1-yl-5-methoxy-1-methylindol-2-yl)-N,N-dimethyl-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is URVJGKJJLNLNAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N7O2/c1-25(2)18(28)17-22-16(23-24-17)15-14(27-6-5-21-8-27)9-7-10(29-4)11(19)12(20)13(9)26(15)3/h5-8H,1-4H3,(H,22,23,24).
What are the key properties of 3-(6,7-difluoro-3-imidazol-1-yl-5-methoxy-1-methylindol-2-yl)-N,N-dimethyl-1H-1,2,4-triazole-5-carboxamide?
3-(6,7-difluoro-3-imidazol-1-yl-5-methoxy-1-methylindol-2-yl)-N,N-dimethyl-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 401.38 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6,7-difluoro-3-imidazol-1-yl-5-methoxy-1-methylindol-2-yl)-N,N-dimethyl-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 164549123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).