5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[[5-[(1-propan-2-yltriazol-4-yl)methoxy]-2-pyridinyl]methylamino]-1H-pyridin-2-one

C22H25N7O3 — CID 171638287

IUPAC5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[[5-[(1-propan-2-yltriazol-4-yl)methoxy]-2-pyridinyl]methylamino]-1H-pyridin-2-one
SMILESCc1noc(C)c1-c1c[nH]c(=O)c(NCc2ccc(OCc3cn(C(C)C)nn3)cn2)c1
InChIInChI=1S/C22H25N7O3/c1-13(2)29-11-18(26-28-29)12-31-19-6-5-17(23-10-19)9-24-20-7-16(8-25-22(20)30)21-14(3)27-32-15(21)4/h5-8,10-11,13,24H,9,12H2,1-4H3,(H,25,30)
InChIKeyUNVNHXYROBNASC-UHFFFAOYSA-N
MW435.49 g/mol
LogP3.41
Rot. Bonds8

About 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[[5-[(1-propan-2-yltriazol-4-yl)methoxy]-2-pyridinyl]methylamino]-1H-pyridin-2-one

5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[[5-[(1-propan-2-yltriazol-4-yl)methoxy]-2-pyridinyl]methylamino]-1H-pyridin-2-one (PubChem CID 171638287) has the molecular formula C22H25N7O3 and a molecular weight of 435.49 g/mol. Its IUPAC name is 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[[5-[(1-propan-2-yltriazol-4-yl)methoxy]-2-pyridinyl]methylamino]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[[5-[(1-propan-2-yltriazol-4-yl)methoxy]-2-pyridinyl]methylamino]-1H-pyridin-2-one
PubChem CID171638287
Molecular FormulaC22H25N7O3
Molecular Weight435.49 g/mol
Exact Mass435.20
IUPAC Name5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[[5-[(1-propan-2-yltriazol-4-yl)methoxy]-2-pyridinyl]methylamino]-1H-pyridin-2-one
SMILESCc1noc(C)c1-c1c[nH]c(=O)c(NCc2ccc(OCc3cn(C(C)C)nn3)cn2)c1
InChIInChI=1S/C22H25N7O3/c1-13(2)29-11-18(26-28-29)12-31-19-6-5-17(23-10-19)9-24-20-7-16(8-25-22(20)30)21-14(3)27-32-15(21)4/h5-8,10-11,13,24H,9,12H2,1-4H3,(H,25,30)
InChIKeyUNVNHXYROBNASC-UHFFFAOYSA-N
XLogP3.41
TPSA123.75 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.49
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[[5-[(1-propan-2-yltriazol-4-yl)methoxy]-2-pyridinyl]methylamino]-1H-pyridin-2-one with MolForge

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Launch Full Analysis

Related Compounds

6-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-4-[(5-methyl-1,2-oxazol-3-yl)methylamino]pyridazin-3-one
CID 86270669
6-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-4-[(3-methyl-1,2-oxazol-5-yl)methylamino]pyridazin-3-one
CID 86270671
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-6-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyridazin-3-one
CID 86271705
N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carboxamide
CID 24817788
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-6-methoxypyridine-2-carboxamide
CID 155518895
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-methoxypyridine-3-carboxamide
CID 155524757
3-[1-[(3,5-Dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(5-methoxy-2-pyridinyl)methyl]-5,5-dimethylimidazolidine-2,4-dione
CID 53374188
US10034861, Example 10
CID 132273310
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carboxamide
CID 24794143
N-[(3-ethyl-5-isoxazolyl)methyl]-5-{[(6-methyl-3-pyridinyl)oxy]methyl}-3-isoxazolecarboxamide
CID 24819173
US10034861, Example 42
CID 132273341
US11091471, Example 89
CID 134588250

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[[5-[(1-propan-2-yltriazol-4-yl)methoxy]-2-pyridinyl]methylamino]-1H-pyridin-2-one?
The IUPAC name of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[[5-[(1-propan-2-yltriazol-4-yl)methoxy]-2-pyridinyl]methylamino]-1H-pyridin-2-one (CID 171638287) is 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[[5-[(1-propan-2-yltriazol-4-yl)methoxy]-2-pyridinyl]methylamino]-1H-pyridin-2-one.
What is the SMILES notation for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[[5-[(1-propan-2-yltriazol-4-yl)methoxy]-2-pyridinyl]methylamino]-1H-pyridin-2-one?
The canonical SMILES for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[[5-[(1-propan-2-yltriazol-4-yl)methoxy]-2-pyridinyl]methylamino]-1H-pyridin-2-one is Cc1noc(C)c1-c1c[nH]c(=O)c(NCc2ccc(OCc3cn(C(C)C)nn3)cn2)c1.
What is the InChIKey of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[[5-[(1-propan-2-yltriazol-4-yl)methoxy]-2-pyridinyl]methylamino]-1H-pyridin-2-one?
The InChIKey is UNVNHXYROBNASC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7O3/c1-13(2)29-11-18(26-28-29)12-31-19-6-5-17(23-10-19)9-24-20-7-16(8-25-22(20)30)21-14(3)27-32-15(21)4/h5-8,10-11,13,24H,9,12H2,1-4H3,(H,25,30).
What are the key properties of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[[5-[(1-propan-2-yltriazol-4-yl)methoxy]-2-pyridinyl]methylamino]-1H-pyridin-2-one?
5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[[5-[(1-propan-2-yltriazol-4-yl)methoxy]-2-pyridinyl]methylamino]-1H-pyridin-2-one has a molecular weight of 435.49 g/mol, XLogP of 3.41, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[[5-[(1-propan-2-yltriazol-4-yl)methoxy]-2-pyridinyl]methylamino]-1H-pyridin-2-one is sourced from PubChem (CID 171638287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).