5-[(3S,6S)-6-(methoxymethyl)piperidin-3-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine

C17H23N7O — CID 24821630

IUPAC5-[(3S,6S)-6-(methoxymethyl)piperidin-3-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOC[C@@H]1CC[C@H](c2cc(N)n3ncc(-c4cnn(C)c4)c3n2)CN1
InChIInChI=1S/C17H23N7O/c1-23-9-12(7-20-23)14-8-21-24-16(18)5-15(22-17(14)24)11-3-4-13(10-25-2)19-6-11/h5,7-9,11,13,19H,3-4,6,10,18H2,1-2H3/t11-,13-/m0/s1
InChIKeyYNTQJKJYVQWDFS-AAEUAGOBSA-N
MW341.42 g/mol
LogP1.19
Rot. Bonds4

About 5-[(3S,6S)-6-(methoxymethyl)piperidin-3-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine

5-[(3S,6S)-6-(methoxymethyl)piperidin-3-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 24821630) has the molecular formula C17H23N7O and a molecular weight of 341.42 g/mol. Its IUPAC name is 5-[(3S,6S)-6-(methoxymethyl)piperidin-3-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-[(3S,6S)-6-(methoxymethyl)piperidin-3-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID24821630
Molecular FormulaC17H23N7O
Molecular Weight341.42 g/mol
Exact Mass341.20
IUPAC Name5-[(3S,6S)-6-(methoxymethyl)piperidin-3-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOC[C@@H]1CC[C@H](c2cc(N)n3ncc(-c4cnn(C)c4)c3n2)CN1
InChIInChI=1S/C17H23N7O/c1-23-9-12(7-20-23)14-8-21-24-16(18)5-15(22-17(14)24)11-3-4-13(10-25-2)19-6-11/h5,7-9,11,13,19H,3-4,6,10,18H2,1-2H3/t11-,13-/m0/s1
InChIKeyYNTQJKJYVQWDFS-AAEUAGOBSA-N
XLogP1.19
TPSA95.29 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[(3S,6S)-6-(methoxymethyl)piperidin-3-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-[(3S,6S)-6-(methoxymethyl)piperidin-3-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 24821630) is 5-[(3S,6S)-6-(methoxymethyl)piperidin-3-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-[(3S,6S)-6-(methoxymethyl)piperidin-3-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-[(3S,6S)-6-(methoxymethyl)piperidin-3-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine is COC[C@@H]1CC[C@H](c2cc(N)n3ncc(-c4cnn(C)c4)c3n2)CN1.
What is the InChIKey of 5-[(3S,6S)-6-(methoxymethyl)piperidin-3-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is YNTQJKJYVQWDFS-AAEUAGOBSA-N. The full InChI is InChI=1S/C17H23N7O/c1-23-9-12(7-20-23)14-8-21-24-16(18)5-15(22-17(14)24)11-3-4-13(10-25-2)19-6-11/h5,7-9,11,13,19H,3-4,6,10,18H2,1-2H3/t11-,13-/m0/s1.
What are the key properties of 5-[(3S,6S)-6-(methoxymethyl)piperidin-3-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
5-[(3S,6S)-6-(methoxymethyl)piperidin-3-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 341.42 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3S,6S)-6-(methoxymethyl)piperidin-3-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 24821630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).