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

C23H25N7O2 — CID 86268026

IUPAC5-[5-[[2-(1-ethylpyrazol-4-yl)-4-pyridinyl]oxy]-6-methyl-2-pyridinyl]-2-(propan-2-ylamino)-1H-pyrimidin-6-one
SMILESCCn1cc(-c2cc(Oc3ccc(-c4cnc(NC(C)C)[nH]c4=O)nc3C)ccn2)cn1
InChIInChI=1S/C23H25N7O2/c1-5-30-13-16(11-26-30)20-10-17(8-9-24-20)32-21-7-6-19(28-15(21)4)18-12-25-23(27-14(2)3)29-22(18)31/h6-14H,5H2,1-4H3,(H2,25,27,29,31)
InChIKeyUECQTNRFEUFIHT-UHFFFAOYSA-N
MW431.50 g/mol
LogP4.03
Rot. Bonds7

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

5-[5-[[2-(1-ethylpyrazol-4-yl)-4-pyridinyl]oxy]-6-methyl-2-pyridinyl]-2-(propan-2-ylamino)-1H-pyrimidin-6-one (PubChem CID 86268026) has the molecular formula C23H25N7O2 and a molecular weight of 431.50 g/mol. Its IUPAC name is 5-[5-[[2-(1-ethylpyrazol-4-yl)-4-pyridinyl]oxy]-6-methyl-2-pyridinyl]-2-(propan-2-ylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-[5-[[2-(1-ethylpyrazol-4-yl)-4-pyridinyl]oxy]-6-methyl-2-pyridinyl]-2-(propan-2-ylamino)-1H-pyrimidin-6-one
PubChem CID86268026
Molecular FormulaC23H25N7O2
Molecular Weight431.50 g/mol
Exact Mass431.21
IUPAC Name5-[5-[[2-(1-ethylpyrazol-4-yl)-4-pyridinyl]oxy]-6-methyl-2-pyridinyl]-2-(propan-2-ylamino)-1H-pyrimidin-6-one
SMILESCCn1cc(-c2cc(Oc3ccc(-c4cnc(NC(C)C)[nH]c4=O)nc3C)ccn2)cn1
InChIInChI=1S/C23H25N7O2/c1-5-30-13-16(11-26-30)20-10-17(8-9-24-20)32-21-7-6-19(28-15(21)4)18-12-25-23(27-14(2)3)29-22(18)31/h6-14H,5H2,1-4H3,(H2,25,27,29,31)
InChIKeyUECQTNRFEUFIHT-UHFFFAOYSA-N
XLogP4.03
TPSA110.61 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-[5-[[2-(1-ethylpyrazol-4-yl)-4-pyridinyl]oxy]-6-methyl-2-pyridinyl]-2-(propan-2-ylamino)-1H-pyrimidin-6-one with MolForge

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Launch Full Analysis

Related Compounds

Vimseltinib
CID 86267612
Pimicotinib
CID 139549388
2,2-dimethyl-N-[(6-methyl-5-{[2-(1-methyl-1H-pyrazol-4-yl)pyridin-4-yl]oxy}pyridin-2-yl)carbamoyl]propanamide
CID 86270079
N-[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-5-oxo-6-azaspiro[3.4]octane-6-carboxamide
CID 146267978
Icotidine
CID 72108
N-[[3-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]carbamoyl]-2-(4-fluorophenyl)acetamide
CID 45378043
2-(4-fluorophenyl)-N-[[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]acetamide
CID 46208889
2-(4-fluorophenyl)-N-[[4-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]acetamide
CID 67400337
2-(isopropylamino)-5-(6-methyl-5-((2-(1-methyl-1H-pyrazol-4-yl)pyridin-4-yl)oxy)pyridin-2-yl)pyrimidin-4(3H)-one
CID 86267405
2-(ethylamino)-5-(6-methyl-5-((6'-methyl-[2,3'-bipyridin]-4-yl)oxy)pyridin-2-yl)pyrimidin-4(3H)-one
CID 86267406
2-(ethylamino)-5-(6-methyl-5-((2-(4-methyl-1H-imidazol-1-yl)pyridin-4-yl)oxy)pyridin-2-yl)pyrimidin-4(3H)-one
CID 86267407
5-(6-methyl-5-((2-(1-methyl-1H-pyrazol-4-yl)pyridin-4-yl)oxy)pyridin-2-yl)-2-(methylamino)pyrimidin-4(3H)-one
CID 86267409

Frequently Asked Questions

What is the IUPAC name of 5-[5-[[2-(1-ethylpyrazol-4-yl)-4-pyridinyl]oxy]-6-methyl-2-pyridinyl]-2-(propan-2-ylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-[5-[[2-(1-ethylpyrazol-4-yl)-4-pyridinyl]oxy]-6-methyl-2-pyridinyl]-2-(propan-2-ylamino)-1H-pyrimidin-6-one (CID 86268026) is 5-[5-[[2-(1-ethylpyrazol-4-yl)-4-pyridinyl]oxy]-6-methyl-2-pyridinyl]-2-(propan-2-ylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-[5-[[2-(1-ethylpyrazol-4-yl)-4-pyridinyl]oxy]-6-methyl-2-pyridinyl]-2-(propan-2-ylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-[5-[[2-(1-ethylpyrazol-4-yl)-4-pyridinyl]oxy]-6-methyl-2-pyridinyl]-2-(propan-2-ylamino)-1H-pyrimidin-6-one is CCn1cc(-c2cc(Oc3ccc(-c4cnc(NC(C)C)[nH]c4=O)nc3C)ccn2)cn1.
What is the InChIKey of 5-[5-[[2-(1-ethylpyrazol-4-yl)-4-pyridinyl]oxy]-6-methyl-2-pyridinyl]-2-(propan-2-ylamino)-1H-pyrimidin-6-one?
The InChIKey is UECQTNRFEUFIHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O2/c1-5-30-13-16(11-26-30)20-10-17(8-9-24-20)32-21-7-6-19(28-15(21)4)18-12-25-23(27-14(2)3)29-22(18)31/h6-14H,5H2,1-4H3,(H2,25,27,29,31).
What are the key properties of 5-[5-[[2-(1-ethylpyrazol-4-yl)-4-pyridinyl]oxy]-6-methyl-2-pyridinyl]-2-(propan-2-ylamino)-1H-pyrimidin-6-one?
5-[5-[[2-(1-ethylpyrazol-4-yl)-4-pyridinyl]oxy]-6-methyl-2-pyridinyl]-2-(propan-2-ylamino)-1H-pyrimidin-6-one has a molecular weight of 431.50 g/mol, XLogP of 4.03, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[[2-(1-ethylpyrazol-4-yl)-4-pyridinyl]oxy]-6-methyl-2-pyridinyl]-2-(propan-2-ylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 86268026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).