[1-[5-Fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]piperidin-2-yl]methanol

C23H22F2N6O2 — CID 90445939

IUPAC[1-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]piperidin-2-yl]methanol
SMILESC1CCN(C(C1)CO)C2=NC(=NC=C2F)C3=NN(C(=C3)C4=NOC=C4)CC5=CC=CC=C5F
InChIInChI=1S/C23H22F2N6O2/c24-17-7-2-1-5-15(17)13-31-21(19-8-10-33-29-19)11-20(28-31)22-26-12-18(25)23(27-22)30-9-4-3-6-16(30)14-32/h1-2,5,7-8,10-12,16,32H,3-4,6,9,13-14H2
InChIKeyBKVQAHJOGKEOBG-UHFFFAOYSA-N
MW452.50 g/mol
LogP2.80
Rot. Bonds6

About [1-[5-Fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]piperidin-2-yl]methanol

[1-[5-Fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]piperidin-2-yl]methanol (PubChem CID 90445939) has the molecular formula C23H22F2N6O2 and a molecular weight of 452.50 g/mol. Its IUPAC name is [1-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]piperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[5-Fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]piperidin-2-yl]methanol
PubChem CID90445939
Molecular FormulaC23H22F2N6O2
Molecular Weight452.50 g/mol
Exact Mass452.18
IUPAC Name[1-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]piperidin-2-yl]methanol
SMILESC1CCN(C(C1)CO)C2=NC(=NC=C2F)C3=NN(C(=C3)C4=NOC=C4)CC5=CC=CC=C5F
InChIInChI=1S/C23H22F2N6O2/c24-17-7-2-1-5-15(17)13-31-21(19-8-10-33-29-19)11-20(28-31)22-26-12-18(25)23(27-22)30-9-4-3-6-16(30)14-32/h1-2,5,7-8,10-12,16,32H,3-4,6,9,13-14H2
InChIKeyBKVQAHJOGKEOBG-UHFFFAOYSA-N
XLogP2.80
TPSA93.10 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity636

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.50
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze [1-[5-Fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]piperidin-2-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-[5-Fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]piperidin-2-yl]methanol?
The IUPAC name of [1-[5-Fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]piperidin-2-yl]methanol (CID 90445939) is [1-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]piperidin-2-yl]methanol.
What is the SMILES notation for [1-[5-Fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]piperidin-2-yl]methanol?
The canonical SMILES for [1-[5-Fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]piperidin-2-yl]methanol is C1CCN(C(C1)CO)C2=NC(=NC=C2F)C3=NN(C(=C3)C4=NOC=C4)CC5=CC=CC=C5F.
What is the InChIKey of [1-[5-Fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]piperidin-2-yl]methanol?
The InChIKey is BKVQAHJOGKEOBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2N6O2/c24-17-7-2-1-5-15(17)13-31-21(19-8-10-33-29-19)11-20(28-31)22-26-12-18(25)23(27-22)30-9-4-3-6-16(30)14-32/h1-2,5,7-8,10-12,16,32H,3-4,6,9,13-14H2.
What are the key properties of [1-[5-Fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]piperidin-2-yl]methanol?
[1-[5-Fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]piperidin-2-yl]methanol has a molecular weight of 452.50 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-Fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]piperidin-2-yl]methanol is sourced from PubChem (CID 90445939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).