5-N-(6-methoxy-3-pyridinyl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-5,7-diamine

C16H16N8O — CID 91429649

IUPAC5-N-(6-methoxy-3-pyridinyl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-5,7-diamine
SMILESCOc1ccc(Nc2cc(N)n3ncc(-c4cnn(C)c4)c3n2)cn1
InChIInChI=1S/C16H16N8O/c1-23-9-10(6-19-23)12-8-20-24-13(17)5-14(22-16(12)24)21-11-3-4-15(25-2)18-7-11/h3-9H,17H2,1-2H3,(H,21,22)
InChIKeyOVJHMEXVOGYCFH-UHFFFAOYSA-N
MW336.36 g/mol
LogP1.86
Rot. Bonds4

About 5-N-(6-methoxy-3-pyridinyl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-5,7-diamine

5-N-(6-methoxy-3-pyridinyl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-5,7-diamine (PubChem CID 91429649) has the molecular formula C16H16N8O and a molecular weight of 336.36 g/mol. Its IUPAC name is 5-N-(6-methoxy-3-pyridinyl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-5,7-diamine.

Molecular Properties

Compound Name5-N-(6-methoxy-3-pyridinyl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-5,7-diamine
PubChem CID91429649
Molecular FormulaC16H16N8O
Molecular Weight336.36 g/mol
Exact Mass336.14
IUPAC Name5-N-(6-methoxy-3-pyridinyl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-5,7-diamine
SMILESCOc1ccc(Nc2cc(N)n3ncc(-c4cnn(C)c4)c3n2)cn1
InChIInChI=1S/C16H16N8O/c1-23-9-10(6-19-23)12-8-20-24-13(17)5-14(22-16(12)24)21-11-3-4-15(25-2)18-7-11/h3-9H,17H2,1-2H3,(H,21,22)
InChIKeyOVJHMEXVOGYCFH-UHFFFAOYSA-N
XLogP1.86
TPSA108.18 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-N-(6-methoxy-3-pyridinyl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-5,7-diamine?
The IUPAC name of 5-N-(6-methoxy-3-pyridinyl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-5,7-diamine (CID 91429649) is 5-N-(6-methoxy-3-pyridinyl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-5,7-diamine.
What is the SMILES notation for 5-N-(6-methoxy-3-pyridinyl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-5,7-diamine?
The canonical SMILES for 5-N-(6-methoxy-3-pyridinyl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-5,7-diamine is COc1ccc(Nc2cc(N)n3ncc(-c4cnn(C)c4)c3n2)cn1.
What is the InChIKey of 5-N-(6-methoxy-3-pyridinyl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-5,7-diamine?
The InChIKey is OVJHMEXVOGYCFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N8O/c1-23-9-10(6-19-23)12-8-20-24-13(17)5-14(22-16(12)24)21-11-3-4-15(25-2)18-7-11/h3-9H,17H2,1-2H3,(H,21,22).
What are the key properties of 5-N-(6-methoxy-3-pyridinyl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-5,7-diamine?
5-N-(6-methoxy-3-pyridinyl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-5,7-diamine has a molecular weight of 336.36 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(6-methoxy-3-pyridinyl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-5,7-diamine is sourced from PubChem (CID 91429649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).