2-(3,4-dimethoxyphenyl)-3-ethyl-N-[1-(oxetan-3-yl)pyrazol-4-yl]-1H-indole-5-carboxamide

C25H26N4O4 — CID 154641121

IUPAC2-(3,4-dimethoxyphenyl)-3-ethyl-N-[1-(oxetan-3-yl)pyrazol-4-yl]-1H-indole-5-carboxamide
SMILESCCc1c(-c2ccc(OC)c(OC)c2)[nH]c2ccc(C(=O)Nc3cnn(C4COC4)c3)cc12
InChIInChI=1S/C25H26N4O4/c1-4-19-20-9-16(25(30)27-17-11-26-29(12-17)18-13-33-14-18)5-7-21(20)28-24(19)15-6-8-22(31-2)23(10-15)32-3/h5-12,18,28H,4,13-14H2,1-3H3,(H,27,30)
InChIKeyBRBLCUHVYQTEFE-UHFFFAOYSA-N
MW446.51 g/mol
LogP4.43
Rot. Bonds7

About 2-(3,4-dimethoxyphenyl)-3-ethyl-N-[1-(oxetan-3-yl)pyrazol-4-yl]-1H-indole-5-carboxamide

2-(3,4-dimethoxyphenyl)-3-ethyl-N-[1-(oxetan-3-yl)pyrazol-4-yl]-1H-indole-5-carboxamide (PubChem CID 154641121) has the molecular formula C25H26N4O4 and a molecular weight of 446.51 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-3-ethyl-N-[1-(oxetan-3-yl)pyrazol-4-yl]-1H-indole-5-carboxamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-3-ethyl-N-[1-(oxetan-3-yl)pyrazol-4-yl]-1H-indole-5-carboxamide
PubChem CID154641121
Molecular FormulaC25H26N4O4
Molecular Weight446.51 g/mol
Exact Mass446.20
IUPAC Name2-(3,4-dimethoxyphenyl)-3-ethyl-N-[1-(oxetan-3-yl)pyrazol-4-yl]-1H-indole-5-carboxamide
SMILESCCc1c(-c2ccc(OC)c(OC)c2)[nH]c2ccc(C(=O)Nc3cnn(C4COC4)c3)cc12
InChIInChI=1S/C25H26N4O4/c1-4-19-20-9-16(25(30)27-17-11-26-29(12-17)18-13-33-14-18)5-7-21(20)28-24(19)15-6-8-22(31-2)23(10-15)32-3/h5-12,18,28H,4,13-14H2,1-3H3,(H,27,30)
InChIKeyBRBLCUHVYQTEFE-UHFFFAOYSA-N
XLogP4.43
TPSA90.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.51
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-3-ethyl-N-[1-(oxetan-3-yl)pyrazol-4-yl]-1H-indole-5-carboxamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-3-ethyl-N-[1-(oxetan-3-yl)pyrazol-4-yl]-1H-indole-5-carboxamide (CID 154641121) is 2-(3,4-dimethoxyphenyl)-3-ethyl-N-[1-(oxetan-3-yl)pyrazol-4-yl]-1H-indole-5-carboxamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-3-ethyl-N-[1-(oxetan-3-yl)pyrazol-4-yl]-1H-indole-5-carboxamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-3-ethyl-N-[1-(oxetan-3-yl)pyrazol-4-yl]-1H-indole-5-carboxamide is CCc1c(-c2ccc(OC)c(OC)c2)[nH]c2ccc(C(=O)Nc3cnn(C4COC4)c3)cc12.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-3-ethyl-N-[1-(oxetan-3-yl)pyrazol-4-yl]-1H-indole-5-carboxamide?
The InChIKey is BRBLCUHVYQTEFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O4/c1-4-19-20-9-16(25(30)27-17-11-26-29(12-17)18-13-33-14-18)5-7-21(20)28-24(19)15-6-8-22(31-2)23(10-15)32-3/h5-12,18,28H,4,13-14H2,1-3H3,(H,27,30).
What are the key properties of 2-(3,4-dimethoxyphenyl)-3-ethyl-N-[1-(oxetan-3-yl)pyrazol-4-yl]-1H-indole-5-carboxamide?
2-(3,4-dimethoxyphenyl)-3-ethyl-N-[1-(oxetan-3-yl)pyrazol-4-yl]-1H-indole-5-carboxamide has a molecular weight of 446.51 g/mol, XLogP of 4.43, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-3-ethyl-N-[1-(oxetan-3-yl)pyrazol-4-yl]-1H-indole-5-carboxamide is sourced from PubChem (CID 154641121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).