[1-[6-[[4-ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]amino]pyrimidin-4-yl]-5-methylpyrazol-3-yl]methanol

C21H22FN7O — CID 134440050

IUPAC[1-[6-[[4-ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]amino]pyrimidin-4-yl]-5-methylpyrazol-3-yl]methanol
SMILESCCc1c(Nc2cc(-n3nc(CO)cc3C)ncn2)nn(C)c1-c1ccc(F)cc1
InChIInChI=1S/C21H22FN7O/c1-4-17-20(14-5-7-15(22)8-6-14)28(3)27-21(17)25-18-10-19(24-12-23-18)29-13(2)9-16(11-30)26-29/h5-10,12,30H,4,11H2,1-3H3,(H,23,24,25,27)
InChIKeyKDPBFTJUAZYYRM-UHFFFAOYSA-N
MW407.45 g/mol
LogP3.31
Rot. Bonds6

About [1-[6-[[4-ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]amino]pyrimidin-4-yl]-5-methylpyrazol-3-yl]methanol

[1-[6-[[4-ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]amino]pyrimidin-4-yl]-5-methylpyrazol-3-yl]methanol (PubChem CID 134440050) has the molecular formula C21H22FN7O and a molecular weight of 407.45 g/mol. Its IUPAC name is [1-[6-[[4-ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]amino]pyrimidin-4-yl]-5-methylpyrazol-3-yl]methanol.

Molecular Properties

Compound Name[1-[6-[[4-ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]amino]pyrimidin-4-yl]-5-methylpyrazol-3-yl]methanol
PubChem CID134440050
Molecular FormulaC21H22FN7O
Molecular Weight407.45 g/mol
Exact Mass407.19
IUPAC Name[1-[6-[[4-ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]amino]pyrimidin-4-yl]-5-methylpyrazol-3-yl]methanol
SMILESCCc1c(Nc2cc(-n3nc(CO)cc3C)ncn2)nn(C)c1-c1ccc(F)cc1
InChIInChI=1S/C21H22FN7O/c1-4-17-20(14-5-7-15(22)8-6-14)28(3)27-21(17)25-18-10-19(24-12-23-18)29-13(2)9-16(11-30)26-29/h5-10,12,30H,4,11H2,1-3H3,(H,23,24,25,27)
InChIKeyKDPBFTJUAZYYRM-UHFFFAOYSA-N
XLogP3.31
TPSA93.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.45
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [1-[6-[[4-ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]amino]pyrimidin-4-yl]-5-methylpyrazol-3-yl]methanol 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 [1-[6-[[4-ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]amino]pyrimidin-4-yl]-5-methylpyrazol-3-yl]methanol?
The IUPAC name of [1-[6-[[4-ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]amino]pyrimidin-4-yl]-5-methylpyrazol-3-yl]methanol (CID 134440050) is [1-[6-[[4-ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]amino]pyrimidin-4-yl]-5-methylpyrazol-3-yl]methanol.
What is the SMILES notation for [1-[6-[[4-ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]amino]pyrimidin-4-yl]-5-methylpyrazol-3-yl]methanol?
The canonical SMILES for [1-[6-[[4-ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]amino]pyrimidin-4-yl]-5-methylpyrazol-3-yl]methanol is CCc1c(Nc2cc(-n3nc(CO)cc3C)ncn2)nn(C)c1-c1ccc(F)cc1.
What is the InChIKey of [1-[6-[[4-ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]amino]pyrimidin-4-yl]-5-methylpyrazol-3-yl]methanol?
The InChIKey is KDPBFTJUAZYYRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN7O/c1-4-17-20(14-5-7-15(22)8-6-14)28(3)27-21(17)25-18-10-19(24-12-23-18)29-13(2)9-16(11-30)26-29/h5-10,12,30H,4,11H2,1-3H3,(H,23,24,25,27).
What are the key properties of [1-[6-[[4-ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]amino]pyrimidin-4-yl]-5-methylpyrazol-3-yl]methanol?
[1-[6-[[4-ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]amino]pyrimidin-4-yl]-5-methylpyrazol-3-yl]methanol has a molecular weight of 407.45 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-[[4-ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]amino]pyrimidin-4-yl]-5-methylpyrazol-3-yl]methanol is sourced from PubChem (CID 134440050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).