3-methyl-5-[1-methyl-4-(6-morpholin-4-yl-2-pyridin-3-ylpyrimidin-4-yl)pyrazol-3-yl]phenol

C24H24N6O2 — CID 102140478

IUPAC3-methyl-5-[1-methyl-4-(6-morpholin-4-yl-2-pyridin-3-ylpyrimidin-4-yl)pyrazol-3-yl]phenol
SMILESCc1cc(O)cc(-c2nn(C)cc2-c2cc(N3CCOCC3)nc(-c3cccnc3)n2)c1
InChIInChI=1S/C24H24N6O2/c1-16-10-18(12-19(31)11-16)23-20(15-29(2)28-23)21-13-22(30-6-8-32-9-7-30)27-24(26-21)17-4-3-5-25-14-17/h3-5,10-15,31H,6-9H2,1-2H3
InChIKeyJRQZVGYJEGMKQR-UHFFFAOYSA-N
MW428.50 g/mol
LogP3.46
Rot. Bonds4

About 3-methyl-5-[1-methyl-4-(6-morpholin-4-yl-2-pyridin-3-ylpyrimidin-4-yl)pyrazol-3-yl]phenol

3-methyl-5-[1-methyl-4-(6-morpholin-4-yl-2-pyridin-3-ylpyrimidin-4-yl)pyrazol-3-yl]phenol (PubChem CID 102140478) has the molecular formula C24H24N6O2 and a molecular weight of 428.50 g/mol. Its IUPAC name is 3-methyl-5-[1-methyl-4-(6-morpholin-4-yl-2-pyridin-3-ylpyrimidin-4-yl)pyrazol-3-yl]phenol.

Molecular Properties

Compound Name3-methyl-5-[1-methyl-4-(6-morpholin-4-yl-2-pyridin-3-ylpyrimidin-4-yl)pyrazol-3-yl]phenol
PubChem CID102140478
Molecular FormulaC24H24N6O2
Molecular Weight428.50 g/mol
Exact Mass428.20
IUPAC Name3-methyl-5-[1-methyl-4-(6-morpholin-4-yl-2-pyridin-3-ylpyrimidin-4-yl)pyrazol-3-yl]phenol
SMILESCc1cc(O)cc(-c2nn(C)cc2-c2cc(N3CCOCC3)nc(-c3cccnc3)n2)c1
InChIInChI=1S/C24H24N6O2/c1-16-10-18(12-19(31)11-16)23-20(15-29(2)28-23)21-13-22(30-6-8-32-9-7-30)27-24(26-21)17-4-3-5-25-14-17/h3-5,10-15,31H,6-9H2,1-2H3
InChIKeyJRQZVGYJEGMKQR-UHFFFAOYSA-N
XLogP3.46
TPSA89.19 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.50
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[1-methyl-4-(6-morpholin-4-yl-2-pyridin-3-ylpyrimidin-4-yl)pyrazol-3-yl]phenol?
The IUPAC name of 3-methyl-5-[1-methyl-4-(6-morpholin-4-yl-2-pyridin-3-ylpyrimidin-4-yl)pyrazol-3-yl]phenol (CID 102140478) is 3-methyl-5-[1-methyl-4-(6-morpholin-4-yl-2-pyridin-3-ylpyrimidin-4-yl)pyrazol-3-yl]phenol.
What is the SMILES notation for 3-methyl-5-[1-methyl-4-(6-morpholin-4-yl-2-pyridin-3-ylpyrimidin-4-yl)pyrazol-3-yl]phenol?
The canonical SMILES for 3-methyl-5-[1-methyl-4-(6-morpholin-4-yl-2-pyridin-3-ylpyrimidin-4-yl)pyrazol-3-yl]phenol is Cc1cc(O)cc(-c2nn(C)cc2-c2cc(N3CCOCC3)nc(-c3cccnc3)n2)c1.
What is the InChIKey of 3-methyl-5-[1-methyl-4-(6-morpholin-4-yl-2-pyridin-3-ylpyrimidin-4-yl)pyrazol-3-yl]phenol?
The InChIKey is JRQZVGYJEGMKQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O2/c1-16-10-18(12-19(31)11-16)23-20(15-29(2)28-23)21-13-22(30-6-8-32-9-7-30)27-24(26-21)17-4-3-5-25-14-17/h3-5,10-15,31H,6-9H2,1-2H3.
What are the key properties of 3-methyl-5-[1-methyl-4-(6-morpholin-4-yl-2-pyridin-3-ylpyrimidin-4-yl)pyrazol-3-yl]phenol?
3-methyl-5-[1-methyl-4-(6-morpholin-4-yl-2-pyridin-3-ylpyrimidin-4-yl)pyrazol-3-yl]phenol has a molecular weight of 428.50 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[1-methyl-4-(6-morpholin-4-yl-2-pyridin-3-ylpyrimidin-4-yl)pyrazol-3-yl]phenol is sourced from PubChem (CID 102140478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).