[(3R)-3-[[4-(morpholine-4-carbonyl)triazol-1-yl]methyl]piperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone

C20H24N8O3 — CID 46952373

IUPAC[(3R)-3-[[4-(morpholine-4-carbonyl)triazol-1-yl]methyl]piperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone
SMILESO=C(c1cn(C[C@@H]2CCCN(C(=O)c3cc4ncccn4n3)C2)nn1)N1CCOCC1
InChIInChI=1S/C20H24N8O3/c29-19(16-11-18-21-4-2-6-28(18)23-16)26-5-1-3-15(12-26)13-27-14-17(22-24-27)20(30)25-7-9-31-10-8-25/h2,4,6,11,14-15H,1,3,5,7-10,12-13H2/t15-/m1/s1
InChIKeyLZHGYKFJFXHHPS-OAHLLOKOSA-N
MW424.47 g/mol
LogP0.35
Rot. Bonds4

About [(3R)-3-[[4-(morpholine-4-carbonyl)triazol-1-yl]methyl]piperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone

[(3R)-3-[[4-(morpholine-4-carbonyl)triazol-1-yl]methyl]piperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone (PubChem CID 46952373) has the molecular formula C20H24N8O3 and a molecular weight of 424.47 g/mol. Its IUPAC name is [(3R)-3-[[4-(morpholine-4-carbonyl)triazol-1-yl]methyl]piperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone.

Molecular Properties

Compound Name[(3R)-3-[[4-(morpholine-4-carbonyl)triazol-1-yl]methyl]piperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone
PubChem CID46952373
Molecular FormulaC20H24N8O3
Molecular Weight424.47 g/mol
Exact Mass424.20
IUPAC Name[(3R)-3-[[4-(morpholine-4-carbonyl)triazol-1-yl]methyl]piperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone
SMILESO=C(c1cn(C[C@@H]2CCCN(C(=O)c3cc4ncccn4n3)C2)nn1)N1CCOCC1
InChIInChI=1S/C20H24N8O3/c29-19(16-11-18-21-4-2-6-28(18)23-16)26-5-1-3-15(12-26)13-27-14-17(22-24-27)20(30)25-7-9-31-10-8-25/h2,4,6,11,14-15H,1,3,5,7-10,12-13H2/t15-/m1/s1
InChIKeyLZHGYKFJFXHHPS-OAHLLOKOSA-N
XLogP0.35
TPSA110.75 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.47
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[[4-(morpholine-4-carbonyl)triazol-1-yl]methyl]piperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone?
The IUPAC name of [(3R)-3-[[4-(morpholine-4-carbonyl)triazol-1-yl]methyl]piperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone (CID 46952373) is [(3R)-3-[[4-(morpholine-4-carbonyl)triazol-1-yl]methyl]piperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone.
What is the SMILES notation for [(3R)-3-[[4-(morpholine-4-carbonyl)triazol-1-yl]methyl]piperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone?
The canonical SMILES for [(3R)-3-[[4-(morpholine-4-carbonyl)triazol-1-yl]methyl]piperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone is O=C(c1cn(C[C@@H]2CCCN(C(=O)c3cc4ncccn4n3)C2)nn1)N1CCOCC1.
What is the InChIKey of [(3R)-3-[[4-(morpholine-4-carbonyl)triazol-1-yl]methyl]piperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone?
The InChIKey is LZHGYKFJFXHHPS-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H24N8O3/c29-19(16-11-18-21-4-2-6-28(18)23-16)26-5-1-3-15(12-26)13-27-14-17(22-24-27)20(30)25-7-9-31-10-8-25/h2,4,6,11,14-15H,1,3,5,7-10,12-13H2/t15-/m1/s1.
What are the key properties of [(3R)-3-[[4-(morpholine-4-carbonyl)triazol-1-yl]methyl]piperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone?
[(3R)-3-[[4-(morpholine-4-carbonyl)triazol-1-yl]methyl]piperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone has a molecular weight of 424.47 g/mol, XLogP of 0.35, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-[[4-(morpholine-4-carbonyl)triazol-1-yl]methyl]piperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone is sourced from PubChem (CID 46952373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).