(3S,5R)-N-methyl-5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxyoxan-3-amine

C16H20N6O2 — CID 167070776

IUPAC(3S,5R)-N-methyl-5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxyoxan-3-amine
SMILESCN[C@@H]1COC[C@H](Oc2nc(-c3cnn(C)c3)cn3nccc23)C1
InChIInChI=1S/C16H20N6O2/c1-17-12-5-13(10-23-9-12)24-16-15-3-4-18-22(15)8-14(20-16)11-6-19-21(2)7-11/h3-4,6-8,12-13,17H,5,9-10H2,1-2H3/t12-,13+/m0/s1
InChIKeySURQFHVOPHQUNY-QWHCGFSZSA-N
MW328.38 g/mol
LogP0.89
Rot. Bonds4

About (3S,5R)-N-methyl-5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxyoxan-3-amine

(3S,5R)-N-methyl-5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxyoxan-3-amine (PubChem CID 167070776) has the molecular formula C16H20N6O2 and a molecular weight of 328.38 g/mol. Its IUPAC name is (3S,5R)-N-methyl-5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxyoxan-3-amine.

Molecular Properties

Compound Name(3S,5R)-N-methyl-5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxyoxan-3-amine
PubChem CID167070776
Molecular FormulaC16H20N6O2
Molecular Weight328.38 g/mol
Exact Mass328.16
IUPAC Name(3S,5R)-N-methyl-5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxyoxan-3-amine
SMILESCN[C@@H]1COC[C@H](Oc2nc(-c3cnn(C)c3)cn3nccc23)C1
InChIInChI=1S/C16H20N6O2/c1-17-12-5-13(10-23-9-12)24-16-15-3-4-18-22(15)8-14(20-16)11-6-19-21(2)7-11/h3-4,6-8,12-13,17H,5,9-10H2,1-2H3/t12-,13+/m0/s1
InChIKeySURQFHVOPHQUNY-QWHCGFSZSA-N
XLogP0.89
TPSA78.50 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (3S,5R)-N-methyl-5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxyoxan-3-amine?
The IUPAC name of (3S,5R)-N-methyl-5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxyoxan-3-amine (CID 167070776) is (3S,5R)-N-methyl-5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxyoxan-3-amine.
What is the SMILES notation for (3S,5R)-N-methyl-5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxyoxan-3-amine?
The canonical SMILES for (3S,5R)-N-methyl-5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxyoxan-3-amine is CN[C@@H]1COC[C@H](Oc2nc(-c3cnn(C)c3)cn3nccc23)C1.
What is the InChIKey of (3S,5R)-N-methyl-5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxyoxan-3-amine?
The InChIKey is SURQFHVOPHQUNY-QWHCGFSZSA-N. The full InChI is InChI=1S/C16H20N6O2/c1-17-12-5-13(10-23-9-12)24-16-15-3-4-18-22(15)8-14(20-16)11-6-19-21(2)7-11/h3-4,6-8,12-13,17H,5,9-10H2,1-2H3/t12-,13+/m0/s1.
What are the key properties of (3S,5R)-N-methyl-5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxyoxan-3-amine?
(3S,5R)-N-methyl-5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxyoxan-3-amine has a molecular weight of 328.38 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-N-methyl-5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxyoxan-3-amine is sourced from PubChem (CID 167070776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).