6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone

C18H24N6O2 — CID 154842053

IUPAC6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
SMILESO=C(c1cc2n(n1)CCOC2)N1CCC(c2nnc3n2CCCC3)CC1
InChIInChI=1S/C18H24N6O2/c25-18(15-11-14-12-26-10-9-24(14)21-15)22-7-4-13(5-8-22)17-20-19-16-3-1-2-6-23(16)17/h11,13H,1-10,12H2
InChIKeyXYLZQVMRYZHTCP-UHFFFAOYSA-N
MW356.43 g/mol
LogP1.36
Rot. Bonds2

About 6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone

6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone (PubChem CID 154842053) has the molecular formula C18H24N6O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
PubChem CID154842053
Molecular FormulaC18H24N6O2
Molecular Weight356.43 g/mol
Exact Mass356.20
IUPAC Name6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
SMILESO=C(c1cc2n(n1)CCOC2)N1CCC(c2nnc3n2CCCC3)CC1
InChIInChI=1S/C18H24N6O2/c25-18(15-11-14-12-26-10-9-24(14)21-15)22-7-4-13(5-8-22)17-20-19-16-3-1-2-6-23(16)17/h11,13H,1-10,12H2
InChIKeyXYLZQVMRYZHTCP-UHFFFAOYSA-N
XLogP1.36
TPSA78.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone with MolForge

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Related Compounds

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CID 49195447
(4-methoxyphenyl)-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-yl]methanone
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2-methyl-5-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidine-1-carbonyl]-4H-1,2,4-triazol-3-one
CID 162626095
[5-(2-methylpropyl)-1H-pyrazol-3-yl]-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-yl]methanone
CID 50970821
[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
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1,3-dimethyl-6-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidine-1-carbonyl]pyrimidine-2,4-dione
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6-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
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5,6-dimethyl-3-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
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(3-methyl-1-propylpyrazol-4-yl)-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-yl]methanone
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2-phenyl-1-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-yl]propan-1-one
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(1-methylpyrazolo[4,5-b]pyridin-6-yl)-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-yl]methanone
CID 157013026

Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone?
The IUPAC name of 6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone (CID 154842053) is 6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for 6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for 6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone is O=C(c1cc2n(n1)CCOC2)N1CCC(c2nnc3n2CCCC3)CC1.
What is the InChIKey of 6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone?
The InChIKey is XYLZQVMRYZHTCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O2/c25-18(15-11-14-12-26-10-9-24(14)21-15)22-7-4-13(5-8-22)17-20-19-16-3-1-2-6-23(16)17/h11,13H,1-10,12H2.
What are the key properties of 6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone?
6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone has a molecular weight of 356.43 g/mol, XLogP of 1.36, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 154842053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).