6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]pyrimidin-4-amine

C20H15FN6O2 — CID 122520801

IUPAC6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]pyrimidin-4-amine
SMILESCc1cc2c(F)c(Oc3cc(Nc4cc(-c5ccco5)[nH]n4)ncn3)ccc2[nH]1
InChIInChI=1S/C20H15FN6O2/c1-11-7-12-13(24-11)4-5-16(20(12)21)29-19-9-17(22-10-23-19)25-18-8-14(26-27-18)15-3-2-6-28-15/h2-10,24H,1H3,(H2,22,23,25,26,27)
InChIKeyDQKRSNGWKSZJRF-UHFFFAOYSA-N
MW390.38 g/mol
LogP4.92
Rot. Bonds5

About 6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]pyrimidin-4-amine

6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]pyrimidin-4-amine (PubChem CID 122520801) has the molecular formula C20H15FN6O2 and a molecular weight of 390.38 g/mol. Its IUPAC name is 6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]pyrimidin-4-amine
PubChem CID122520801
Molecular FormulaC20H15FN6O2
Molecular Weight390.38 g/mol
Exact Mass390.12
IUPAC Name6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]pyrimidin-4-amine
SMILESCc1cc2c(F)c(Oc3cc(Nc4cc(-c5ccco5)[nH]n4)ncn3)ccc2[nH]1
InChIInChI=1S/C20H15FN6O2/c1-11-7-12-13(24-11)4-5-16(20(12)21)29-19-9-17(22-10-23-19)25-18-8-14(26-27-18)15-3-2-6-28-15/h2-10,24H,1H3,(H2,22,23,25,26,27)
InChIKeyDQKRSNGWKSZJRF-UHFFFAOYSA-N
XLogP4.92
TPSA104.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.38
LogP ≤ 54.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-[5-(furan-2-yl)-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-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]pyrimidin-4-amine?
The IUPAC name of 6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]pyrimidin-4-amine (CID 122520801) is 6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]pyrimidin-4-amine.
What is the SMILES notation for 6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]pyrimidin-4-amine?
The canonical SMILES for 6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]pyrimidin-4-amine is Cc1cc2c(F)c(Oc3cc(Nc4cc(-c5ccco5)[nH]n4)ncn3)ccc2[nH]1.
What is the InChIKey of 6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]pyrimidin-4-amine?
The InChIKey is DQKRSNGWKSZJRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN6O2/c1-11-7-12-13(24-11)4-5-16(20(12)21)29-19-9-17(22-10-23-19)25-18-8-14(26-27-18)15-3-2-6-28-15/h2-10,24H,1H3,(H2,22,23,25,26,27).
What are the key properties of 6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]pyrimidin-4-amine?
6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]pyrimidin-4-amine has a molecular weight of 390.38 g/mol, XLogP of 4.92, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 122520801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).