5-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-(propan-2-ylamino)-1H-pyrimidin-6-one

C22H23N7O2 — CID 86267405

IUPAC5-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-(propan-2-ylamino)-1H-pyrimidin-6-one
SMILESCc1nc(-c2cnc(NC(C)C)[nH]c2=O)ccc1Oc1ccnc(-c2cnn(C)c2)c1
InChIInChI=1S/C22H23N7O2/c1-13(2)26-22-24-11-17(21(30)28-22)18-5-6-20(14(3)27-18)31-16-7-8-23-19(9-16)15-10-25-29(4)12-15/h5-13H,1-4H3,(H2,24,26,28,30)
InChIKeyUREZAFQRYNPCHA-UHFFFAOYSA-N
MW417.47 g/mol
LogP3.55
Rot. Bonds6

About 5-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-(propan-2-ylamino)-1H-pyrimidin-6-one

5-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-(propan-2-ylamino)-1H-pyrimidin-6-one (PubChem CID 86267405) has the molecular formula C22H23N7O2 and a molecular weight of 417.47 g/mol. Its IUPAC name is 5-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-(propan-2-ylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-(propan-2-ylamino)-1H-pyrimidin-6-one
PubChem CID86267405
Molecular FormulaC22H23N7O2
Molecular Weight417.47 g/mol
Exact Mass417.19
IUPAC Name5-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-(propan-2-ylamino)-1H-pyrimidin-6-one
SMILESCc1nc(-c2cnc(NC(C)C)[nH]c2=O)ccc1Oc1ccnc(-c2cnn(C)c2)c1
InChIInChI=1S/C22H23N7O2/c1-13(2)26-22-24-11-17(21(30)28-22)18-5-6-20(14(3)27-18)31-16-7-8-23-19(9-16)15-10-25-29(4)12-15/h5-13H,1-4H3,(H2,24,26,28,30)
InChIKeyUREZAFQRYNPCHA-UHFFFAOYSA-N
XLogP3.55
TPSA110.61 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-(propan-2-ylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-(propan-2-ylamino)-1H-pyrimidin-6-one (CID 86267405) is 5-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-(propan-2-ylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-(propan-2-ylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-(propan-2-ylamino)-1H-pyrimidin-6-one is Cc1nc(-c2cnc(NC(C)C)[nH]c2=O)ccc1Oc1ccnc(-c2cnn(C)c2)c1.
What is the InChIKey of 5-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-(propan-2-ylamino)-1H-pyrimidin-6-one?
The InChIKey is UREZAFQRYNPCHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O2/c1-13(2)26-22-24-11-17(21(30)28-22)18-5-6-20(14(3)27-18)31-16-7-8-23-19(9-16)15-10-25-29(4)12-15/h5-13H,1-4H3,(H2,24,26,28,30).
What are the key properties of 5-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-(propan-2-ylamino)-1H-pyrimidin-6-one?
5-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-(propan-2-ylamino)-1H-pyrimidin-6-one has a molecular weight of 417.47 g/mol, XLogP of 3.55, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-(propan-2-ylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 86267405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).