N-[7-(2-fluorocyclohexa-1,3-dien-1-yl)-4-methoxy-3H-indol-2-yl]-1-methylpyrazole-4-carboxamide

C20H19FN4O2 — CID 158058342

IUPACN-[7-(2-fluorocyclohexa-1,3-dien-1-yl)-4-methoxy-3H-indol-2-yl]-1-methylpyrazole-4-carboxamide
SMILESCOc1ccc(C2=C(F)C=CCC2)c2c1CC(NC(=O)c1cnn(C)c1)=N2
InChIInChI=1S/C20H19FN4O2/c1-25-11-12(10-22-25)20(26)24-18-9-15-17(27-2)8-7-14(19(15)23-18)13-5-3-4-6-16(13)21/h4,6-8,10-11H,3,5,9H2,1-2H3,(H,23,24,26)
InChIKeyFKIONVGDXLFBKT-UHFFFAOYSA-N
MW366.40 g/mol
LogP3.48
Rot. Bonds3

About N-[7-(2-fluorocyclohexa-1,3-dien-1-yl)-4-methoxy-3H-indol-2-yl]-1-methylpyrazole-4-carboxamide

N-[7-(2-fluorocyclohexa-1,3-dien-1-yl)-4-methoxy-3H-indol-2-yl]-1-methylpyrazole-4-carboxamide (PubChem CID 158058342) has the molecular formula C20H19FN4O2 and a molecular weight of 366.40 g/mol. Its IUPAC name is N-[7-(2-fluorocyclohexa-1,3-dien-1-yl)-4-methoxy-3H-indol-2-yl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[7-(2-fluorocyclohexa-1,3-dien-1-yl)-4-methoxy-3H-indol-2-yl]-1-methylpyrazole-4-carboxamide
PubChem CID158058342
Molecular FormulaC20H19FN4O2
Molecular Weight366.40 g/mol
Exact Mass366.15
IUPAC NameN-[7-(2-fluorocyclohexa-1,3-dien-1-yl)-4-methoxy-3H-indol-2-yl]-1-methylpyrazole-4-carboxamide
SMILESCOc1ccc(C2=C(F)C=CCC2)c2c1CC(NC(=O)c1cnn(C)c1)=N2
InChIInChI=1S/C20H19FN4O2/c1-25-11-12(10-22-25)20(26)24-18-9-15-17(27-2)8-7-14(19(15)23-18)13-5-3-4-6-16(13)21/h4,6-8,10-11H,3,5,9H2,1-2H3,(H,23,24,26)
InChIKeyFKIONVGDXLFBKT-UHFFFAOYSA-N
XLogP3.48
TPSA68.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[7-(2-fluorocyclohexa-1,3-dien-1-yl)-4-methoxy-3H-indol-2-yl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[7-(2-fluorocyclohexa-1,3-dien-1-yl)-4-methoxy-3H-indol-2-yl]-1-methylpyrazole-4-carboxamide (CID 158058342) is N-[7-(2-fluorocyclohexa-1,3-dien-1-yl)-4-methoxy-3H-indol-2-yl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[7-(2-fluorocyclohexa-1,3-dien-1-yl)-4-methoxy-3H-indol-2-yl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[7-(2-fluorocyclohexa-1,3-dien-1-yl)-4-methoxy-3H-indol-2-yl]-1-methylpyrazole-4-carboxamide is COc1ccc(C2=C(F)C=CCC2)c2c1CC(NC(=O)c1cnn(C)c1)=N2.
What is the InChIKey of N-[7-(2-fluorocyclohexa-1,3-dien-1-yl)-4-methoxy-3H-indol-2-yl]-1-methylpyrazole-4-carboxamide?
The InChIKey is FKIONVGDXLFBKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O2/c1-25-11-12(10-22-25)20(26)24-18-9-15-17(27-2)8-7-14(19(15)23-18)13-5-3-4-6-16(13)21/h4,6-8,10-11H,3,5,9H2,1-2H3,(H,23,24,26).
What are the key properties of N-[7-(2-fluorocyclohexa-1,3-dien-1-yl)-4-methoxy-3H-indol-2-yl]-1-methylpyrazole-4-carboxamide?
N-[7-(2-fluorocyclohexa-1,3-dien-1-yl)-4-methoxy-3H-indol-2-yl]-1-methylpyrazole-4-carboxamide has a molecular weight of 366.40 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(2-fluorocyclohexa-1,3-dien-1-yl)-4-methoxy-3H-indol-2-yl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 158058342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).