5-(5,6-dimethoxy-3-pyridinyl)-3-(1-propan-2-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-amine

C19H21N7O2 — CID 177378951

IUPAC5-(5,6-dimethoxy-3-pyridinyl)-3-(1-propan-2-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-amine
SMILESCOc1cc(-c2ccn3nc(N)c(-c4cnn(C(C)C)c4)c3n2)cnc1OC
InChIInChI=1S/C19H21N7O2/c1-11(2)26-10-13(9-22-26)16-17(20)24-25-6-5-14(23-18(16)25)12-7-15(27-3)19(28-4)21-8-12/h5-11H,1-4H3,(H2,20,24)
InChIKeyURSIUFOVWICYIY-UHFFFAOYSA-N
MW379.42 g/mol
LogP2.84
Rot. Bonds5

About 5-(5,6-dimethoxy-3-pyridinyl)-3-(1-propan-2-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-amine

5-(5,6-dimethoxy-3-pyridinyl)-3-(1-propan-2-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-amine (PubChem CID 177378951) has the molecular formula C19H21N7O2 and a molecular weight of 379.42 g/mol. Its IUPAC name is 5-(5,6-dimethoxy-3-pyridinyl)-3-(1-propan-2-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-amine.

Molecular Properties

Compound Name5-(5,6-dimethoxy-3-pyridinyl)-3-(1-propan-2-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-amine
PubChem CID177378951
Molecular FormulaC19H21N7O2
Molecular Weight379.42 g/mol
Exact Mass379.18
IUPAC Name5-(5,6-dimethoxy-3-pyridinyl)-3-(1-propan-2-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-amine
SMILESCOc1cc(-c2ccn3nc(N)c(-c4cnn(C(C)C)c4)c3n2)cnc1OC
InChIInChI=1S/C19H21N7O2/c1-11(2)26-10-13(9-22-26)16-17(20)24-25-6-5-14(23-18(16)25)12-7-15(27-3)19(28-4)21-8-12/h5-11H,1-4H3,(H2,20,24)
InChIKeyURSIUFOVWICYIY-UHFFFAOYSA-N
XLogP2.84
TPSA105.38 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

5-(5,6-dimethoxy-3-pyridinyl)-3-(1-ethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-amine
CID 177378950
3-[5-(5-amino-6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-3-yl]prop-2-yn-1-ol
CID 123166237
2-(5,6-dimethoxy-3-pyridinyl)-6-[1-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-ol
CID 137117830
5-(2-amino-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)-N,N-diethyl-2-methoxybenzenesulfonamide
CID 178179234
5-(1-butan-2-ylpyrazol-3-yl)-3-(difluoromethoxy)pyridin-2-amine
CID 123584834
3-[4-[2-(5,6-dimethoxy-3-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]propanenitrile
CID 53327579
5-(2-amino-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)-N-ethyl-N-(2-hydroxyethyl)-2-methoxybenzamide
CID 178179248
2-(5,6-dimethoxy-3-pyridinyl)-6-(1-ethylpyrazol-4-yl)pyrrolo[3,4-b]pyridin-5-ol
CID 137099852
6-(1-tert-butylpyrazol-4-yl)-2-(5,6-dimethoxy-3-pyridinyl)pyrrolo[3,4-b]pyridin-5-ol
CID 137133707
6-[1-(2,2-difluoroethyl)-2-oxo-4-pyridinyl]-2-(5,6-dimethoxy-3-pyridinyl)-7H-pyrrolo[3,4-b]pyridin-5-one
CID 88570845
2-(5,6-dimethoxy-3-pyridinyl)-6-[1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-ol
CID 137095258
2-(5,6-dimethoxy-3-pyridinyl)-7-methyl-6-(1H-pyrazol-5-yl)pyrrolo[3,4-b]pyridin-5-ol
CID 137127088

Frequently Asked Questions

What is the IUPAC name of 5-(5,6-dimethoxy-3-pyridinyl)-3-(1-propan-2-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-amine?
The IUPAC name of 5-(5,6-dimethoxy-3-pyridinyl)-3-(1-propan-2-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-amine (CID 177378951) is 5-(5,6-dimethoxy-3-pyridinyl)-3-(1-propan-2-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-amine.
What is the SMILES notation for 5-(5,6-dimethoxy-3-pyridinyl)-3-(1-propan-2-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-amine?
The canonical SMILES for 5-(5,6-dimethoxy-3-pyridinyl)-3-(1-propan-2-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-amine is COc1cc(-c2ccn3nc(N)c(-c4cnn(C(C)C)c4)c3n2)cnc1OC.
What is the InChIKey of 5-(5,6-dimethoxy-3-pyridinyl)-3-(1-propan-2-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-amine?
The InChIKey is URSIUFOVWICYIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O2/c1-11(2)26-10-13(9-22-26)16-17(20)24-25-6-5-14(23-18(16)25)12-7-15(27-3)19(28-4)21-8-12/h5-11H,1-4H3,(H2,20,24).
What are the key properties of 5-(5,6-dimethoxy-3-pyridinyl)-3-(1-propan-2-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-amine?
5-(5,6-dimethoxy-3-pyridinyl)-3-(1-propan-2-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-amine has a molecular weight of 379.42 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5,6-dimethoxy-3-pyridinyl)-3-(1-propan-2-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-amine is sourced from PubChem (CID 177378951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).