3-[[4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]methylamino]-1H-pyridin-2-one

C18H18N6O2 — CID 58404732

IUPAC3-[[4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]methylamino]-1H-pyridin-2-one
SMILESCOc1cc(-c2cnn(C)c2)cn2ncc(CNc3ccc[nH]c3=O)c12
InChIInChI=1S/C18H18N6O2/c1-23-10-14(9-21-23)12-6-16(26-2)17-13(8-22-24(17)11-12)7-20-15-4-3-5-19-18(15)25/h3-6,8-11,20H,7H2,1-2H3,(H,19,25)
InChIKeyHLIYBNDMIFDEDE-UHFFFAOYSA-N
MW350.38 g/mol
LogP2.04
Rot. Bonds5

About 3-[[4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]methylamino]-1H-pyridin-2-one

3-[[4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]methylamino]-1H-pyridin-2-one (PubChem CID 58404732) has the molecular formula C18H18N6O2 and a molecular weight of 350.38 g/mol. Its IUPAC name is 3-[[4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]methylamino]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[[4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]methylamino]-1H-pyridin-2-one
PubChem CID58404732
Molecular FormulaC18H18N6O2
Molecular Weight350.38 g/mol
Exact Mass350.15
IUPAC Name3-[[4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]methylamino]-1H-pyridin-2-one
SMILESCOc1cc(-c2cnn(C)c2)cn2ncc(CNc3ccc[nH]c3=O)c12
InChIInChI=1S/C18H18N6O2/c1-23-10-14(9-21-23)12-6-16(26-2)17-13(8-22-24(17)11-12)7-20-15-4-3-5-19-18(15)25/h3-6,8-11,20H,7H2,1-2H3,(H,19,25)
InChIKeyHLIYBNDMIFDEDE-UHFFFAOYSA-N
XLogP2.04
TPSA89.24 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]methylamino]-1H-pyridin-2-one?
The IUPAC name of 3-[[4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]methylamino]-1H-pyridin-2-one (CID 58404732) is 3-[[4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]methylamino]-1H-pyridin-2-one.
What is the SMILES notation for 3-[[4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]methylamino]-1H-pyridin-2-one?
The canonical SMILES for 3-[[4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]methylamino]-1H-pyridin-2-one is COc1cc(-c2cnn(C)c2)cn2ncc(CNc3ccc[nH]c3=O)c12.
What is the InChIKey of 3-[[4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]methylamino]-1H-pyridin-2-one?
The InChIKey is HLIYBNDMIFDEDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O2/c1-23-10-14(9-21-23)12-6-16(26-2)17-13(8-22-24(17)11-12)7-20-15-4-3-5-19-18(15)25/h3-6,8-11,20H,7H2,1-2H3,(H,19,25).
What are the key properties of 3-[[4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]methylamino]-1H-pyridin-2-one?
3-[[4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]methylamino]-1H-pyridin-2-one has a molecular weight of 350.38 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]methylamino]-1H-pyridin-2-one is sourced from PubChem (CID 58404732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).