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

C23H23N7O3 — CID 86267614

IUPAC5-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-morpholin-4-yl-1H-pyrimidin-6-one
SMILESCc1nc(-c2cnc(N3CCOCC3)[nH]c2=O)ccc1Oc1ccnc(-c2cnn(C)c2)c1
InChIInChI=1S/C23H23N7O3/c1-15-21(33-17-5-6-24-20(11-17)16-12-26-29(2)14-16)4-3-19(27-15)18-13-25-23(28-22(18)31)30-7-9-32-10-8-30/h3-6,11-14H,7-10H2,1-2H3,(H,25,28,31)
InChIKeyJBZDXFVDMRJXON-UHFFFAOYSA-N
MW445.48 g/mol
LogP2.56
Rot. Bonds5

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

5-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-morpholin-4-yl-1H-pyrimidin-6-one (PubChem CID 86267614) has the molecular formula C23H23N7O3 and a molecular weight of 445.48 g/mol. Its IUPAC name is 5-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-morpholin-4-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-morpholin-4-yl-1H-pyrimidin-6-one
PubChem CID86267614
Molecular FormulaC23H23N7O3
Molecular Weight445.48 g/mol
Exact Mass445.19
IUPAC Name5-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-morpholin-4-yl-1H-pyrimidin-6-one
SMILESCc1nc(-c2cnc(N3CCOCC3)[nH]c2=O)ccc1Oc1ccnc(-c2cnn(C)c2)c1
InChIInChI=1S/C23H23N7O3/c1-15-21(33-17-5-6-24-20(11-17)16-12-26-29(2)14-16)4-3-19(27-15)18-13-25-23(28-22(18)31)30-7-9-32-10-8-30/h3-6,11-14H,7-10H2,1-2H3,(H,25,28,31)
InChIKeyJBZDXFVDMRJXON-UHFFFAOYSA-N
XLogP2.56
TPSA111.05 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.48
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

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CID 146267978
CID 146267978
CID 46208889
CID 46208889
CID 67400337
CID 67400337
CID 86267405
CID 86267405
CID 86267406
CID 86267406
CID 86267409
CID 86267409
CID 86267410
CID 86267410
CID 86267433
CID 86267433
CID 86267611
CID 86267611

Frequently Asked Questions

What is the IUPAC name of 5-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-morpholin-4-yl-1H-pyrimidin-6-one?
The IUPAC name of 5-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-morpholin-4-yl-1H-pyrimidin-6-one (CID 86267614) is 5-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-morpholin-4-yl-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-morpholin-4-yl-1H-pyrimidin-6-one?
The canonical SMILES for 5-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-morpholin-4-yl-1H-pyrimidin-6-one is Cc1nc(-c2cnc(N3CCOCC3)[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-morpholin-4-yl-1H-pyrimidin-6-one?
The InChIKey is JBZDXFVDMRJXON-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O3/c1-15-21(33-17-5-6-24-20(11-17)16-12-26-29(2)14-16)4-3-19(27-15)18-13-25-23(28-22(18)31)30-7-9-32-10-8-30/h3-6,11-14H,7-10H2,1-2H3,(H,25,28,31).
What are the key properties of 5-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-morpholin-4-yl-1H-pyrimidin-6-one?
5-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-morpholin-4-yl-1H-pyrimidin-6-one has a molecular weight of 445.48 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 9 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-morpholin-4-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 86267614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).