6-ethyl-2-[(4-fluoro-1H-indol-5-yl)oxy]-N-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]pyrimidin-4-amine

C20H19FN6O — CID 123952319

IUPAC6-ethyl-2-[(4-fluoro-1H-indol-5-yl)oxy]-N-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]pyrimidin-4-amine
SMILESC/C=C/c1cc(Nc2cc(CC)nc(Oc3ccc4[nH]ccc4c3F)n2)n[nH]1
InChIInChI=1S/C20H19FN6O/c1-3-5-13-11-18(27-26-13)24-17-10-12(4-2)23-20(25-17)28-16-7-6-15-14(19(16)21)8-9-22-15/h3,5-11,22H,4H2,1-2H3,(H2,23,24,25,26,27)/b5-3+
InChIKeyKCIPVLIOTJPAJH-HWKANZROSA-N
MW378.41 g/mol
LogP4.95
Rot. Bonds6

About 6-ethyl-2-[(4-fluoro-1H-indol-5-yl)oxy]-N-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]pyrimidin-4-amine

6-ethyl-2-[(4-fluoro-1H-indol-5-yl)oxy]-N-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]pyrimidin-4-amine (PubChem CID 123952319) has the molecular formula C20H19FN6O and a molecular weight of 378.41 g/mol. Its IUPAC name is 6-ethyl-2-[(4-fluoro-1H-indol-5-yl)oxy]-N-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-2-[(4-fluoro-1H-indol-5-yl)oxy]-N-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]pyrimidin-4-amine
PubChem CID123952319
Molecular FormulaC20H19FN6O
Molecular Weight378.41 g/mol
Exact Mass378.16
IUPAC Name6-ethyl-2-[(4-fluoro-1H-indol-5-yl)oxy]-N-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]pyrimidin-4-amine
SMILESC/C=C/c1cc(Nc2cc(CC)nc(Oc3ccc4[nH]ccc4c3F)n2)n[nH]1
InChIInChI=1S/C20H19FN6O/c1-3-5-13-11-18(27-26-13)24-17-10-12(4-2)23-20(25-17)28-16-7-6-15-14(19(16)21)8-9-22-15/h3,5-11,22H,4H2,1-2H3,(H2,23,24,25,26,27)/b5-3+
InChIKeyKCIPVLIOTJPAJH-HWKANZROSA-N
XLogP4.95
TPSA91.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 54.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 6-ethyl-2-[(4-fluoro-1H-indol-5-yl)oxy]-N-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]pyrimidin-4-amine 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 6-ethyl-2-[(4-fluoro-1H-indol-5-yl)oxy]-N-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]pyrimidin-4-amine?
The IUPAC name of 6-ethyl-2-[(4-fluoro-1H-indol-5-yl)oxy]-N-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]pyrimidin-4-amine (CID 123952319) is 6-ethyl-2-[(4-fluoro-1H-indol-5-yl)oxy]-N-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-2-[(4-fluoro-1H-indol-5-yl)oxy]-N-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-2-[(4-fluoro-1H-indol-5-yl)oxy]-N-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]pyrimidin-4-amine is C/C=C/c1cc(Nc2cc(CC)nc(Oc3ccc4[nH]ccc4c3F)n2)n[nH]1.
What is the InChIKey of 6-ethyl-2-[(4-fluoro-1H-indol-5-yl)oxy]-N-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]pyrimidin-4-amine?
The InChIKey is KCIPVLIOTJPAJH-HWKANZROSA-N. The full InChI is InChI=1S/C20H19FN6O/c1-3-5-13-11-18(27-26-13)24-17-10-12(4-2)23-20(25-17)28-16-7-6-15-14(19(16)21)8-9-22-15/h3,5-11,22H,4H2,1-2H3,(H2,23,24,25,26,27)/b5-3+.
What are the key properties of 6-ethyl-2-[(4-fluoro-1H-indol-5-yl)oxy]-N-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]pyrimidin-4-amine?
6-ethyl-2-[(4-fluoro-1H-indol-5-yl)oxy]-N-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]pyrimidin-4-amine has a molecular weight of 378.41 g/mol, XLogP of 4.95, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-[(4-fluoro-1H-indol-5-yl)oxy]-N-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 123952319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).