1-[6-[3-(3-methoxy-5-methylphenyl)-1-methylpyrazol-4-yl]-2-pyridin-3-ylpyrimidin-4-yl]azetidin-3-ol

C24H24N6O2 — CID 118706421

IUPAC1-[6-[3-(3-methoxy-5-methylphenyl)-1-methylpyrazol-4-yl]-2-pyridin-3-ylpyrimidin-4-yl]azetidin-3-ol
SMILESCOc1cc(C)cc(-c2nn(C)cc2-c2cc(N3CC(O)C3)nc(-c3cccnc3)n2)c1
InChIInChI=1S/C24H24N6O2/c1-15-7-17(9-19(8-15)32-3)23-20(14-29(2)28-23)21-10-22(30-12-18(31)13-30)27-24(26-21)16-5-4-6-25-11-16/h4-11,14,18,31H,12-13H2,1-3H3
InChIKeyVLSZRXXONYVLED-UHFFFAOYSA-N
MW428.50 g/mol
LogP3.10
Rot. Bonds5

About 1-[6-[3-(3-methoxy-5-methylphenyl)-1-methylpyrazol-4-yl]-2-pyridin-3-ylpyrimidin-4-yl]azetidin-3-ol

1-[6-[3-(3-methoxy-5-methylphenyl)-1-methylpyrazol-4-yl]-2-pyridin-3-ylpyrimidin-4-yl]azetidin-3-ol (PubChem CID 118706421) has the molecular formula C24H24N6O2 and a molecular weight of 428.50 g/mol. Its IUPAC name is 1-[6-[3-(3-methoxy-5-methylphenyl)-1-methylpyrazol-4-yl]-2-pyridin-3-ylpyrimidin-4-yl]azetidin-3-ol.

Molecular Properties

Compound Name1-[6-[3-(3-methoxy-5-methylphenyl)-1-methylpyrazol-4-yl]-2-pyridin-3-ylpyrimidin-4-yl]azetidin-3-ol
PubChem CID118706421
Molecular FormulaC24H24N6O2
Molecular Weight428.50 g/mol
Exact Mass428.20
IUPAC Name1-[6-[3-(3-methoxy-5-methylphenyl)-1-methylpyrazol-4-yl]-2-pyridin-3-ylpyrimidin-4-yl]azetidin-3-ol
SMILESCOc1cc(C)cc(-c2nn(C)cc2-c2cc(N3CC(O)C3)nc(-c3cccnc3)n2)c1
InChIInChI=1S/C24H24N6O2/c1-15-7-17(9-19(8-15)32-3)23-20(14-29(2)28-23)21-10-22(30-12-18(31)13-30)27-24(26-21)16-5-4-6-25-11-16/h4-11,14,18,31H,12-13H2,1-3H3
InChIKeyVLSZRXXONYVLED-UHFFFAOYSA-N
XLogP3.10
TPSA89.19 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.50
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[3-(3-methoxy-5-methylphenyl)-1-methylpyrazol-4-yl]-2-pyridin-3-ylpyrimidin-4-yl]azetidin-3-ol?
The IUPAC name of 1-[6-[3-(3-methoxy-5-methylphenyl)-1-methylpyrazol-4-yl]-2-pyridin-3-ylpyrimidin-4-yl]azetidin-3-ol (CID 118706421) is 1-[6-[3-(3-methoxy-5-methylphenyl)-1-methylpyrazol-4-yl]-2-pyridin-3-ylpyrimidin-4-yl]azetidin-3-ol.
What is the SMILES notation for 1-[6-[3-(3-methoxy-5-methylphenyl)-1-methylpyrazol-4-yl]-2-pyridin-3-ylpyrimidin-4-yl]azetidin-3-ol?
The canonical SMILES for 1-[6-[3-(3-methoxy-5-methylphenyl)-1-methylpyrazol-4-yl]-2-pyridin-3-ylpyrimidin-4-yl]azetidin-3-ol is COc1cc(C)cc(-c2nn(C)cc2-c2cc(N3CC(O)C3)nc(-c3cccnc3)n2)c1.
What is the InChIKey of 1-[6-[3-(3-methoxy-5-methylphenyl)-1-methylpyrazol-4-yl]-2-pyridin-3-ylpyrimidin-4-yl]azetidin-3-ol?
The InChIKey is VLSZRXXONYVLED-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O2/c1-15-7-17(9-19(8-15)32-3)23-20(14-29(2)28-23)21-10-22(30-12-18(31)13-30)27-24(26-21)16-5-4-6-25-11-16/h4-11,14,18,31H,12-13H2,1-3H3.
What are the key properties of 1-[6-[3-(3-methoxy-5-methylphenyl)-1-methylpyrazol-4-yl]-2-pyridin-3-ylpyrimidin-4-yl]azetidin-3-ol?
1-[6-[3-(3-methoxy-5-methylphenyl)-1-methylpyrazol-4-yl]-2-pyridin-3-ylpyrimidin-4-yl]azetidin-3-ol has a molecular weight of 428.50 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[3-(3-methoxy-5-methylphenyl)-1-methylpyrazol-4-yl]-2-pyridin-3-ylpyrimidin-4-yl]azetidin-3-ol is sourced from PubChem (CID 118706421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).