[(5S,7R)-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl]-[4-(2-methoxyethyl)-2,2-dimethylpiperazin-1-yl]methanone

C18H30N4O3 — CID 146111341

IUPAC[(5S,7R)-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl]-[4-(2-methoxyethyl)-2,2-dimethylpiperazin-1-yl]methanone
SMILESCOCCN1CCN(C(=O)c2n[nH]c3c2C[C@H](C)O[C@@H]3C)C(C)(C)C1
InChIInChI=1S/C18H30N4O3/c1-12-10-14-15(13(2)25-12)19-20-16(14)17(23)22-7-6-21(8-9-24-5)11-18(22,3)4/h12-13H,6-11H2,1-5H3,(H,19,20)/t12-,13+/m0/s1
InChIKeyJLTYRJGKGKBYEA-QWHCGFSZSA-N
MW350.46 g/mol
LogP1.61
Rot. Bonds4

About [(5S,7R)-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl]-[4-(2-methoxyethyl)-2,2-dimethylpiperazin-1-yl]methanone

[(5S,7R)-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl]-[4-(2-methoxyethyl)-2,2-dimethylpiperazin-1-yl]methanone (PubChem CID 146111341) has the molecular formula C18H30N4O3 and a molecular weight of 350.46 g/mol. Its IUPAC name is [(5S,7R)-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl]-[4-(2-methoxyethyl)-2,2-dimethylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name[(5S,7R)-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl]-[4-(2-methoxyethyl)-2,2-dimethylpiperazin-1-yl]methanone
PubChem CID146111341
Molecular FormulaC18H30N4O3
Molecular Weight350.46 g/mol
Exact Mass350.23
IUPAC Name[(5S,7R)-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl]-[4-(2-methoxyethyl)-2,2-dimethylpiperazin-1-yl]methanone
SMILESCOCCN1CCN(C(=O)c2n[nH]c3c2C[C@H](C)O[C@@H]3C)C(C)(C)C1
InChIInChI=1S/C18H30N4O3/c1-12-10-14-15(13(2)25-12)19-20-16(14)17(23)22-7-6-21(8-9-24-5)11-18(22,3)4/h12-13H,6-11H2,1-5H3,(H,19,20)/t12-,13+/m0/s1
InChIKeyJLTYRJGKGKBYEA-QWHCGFSZSA-N
XLogP1.61
TPSA70.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(5S,7R)-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl]-[4-(2-methoxyethyl)-2,2-dimethylpiperazin-1-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(5S,7R)-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl]-[4-(2-methoxyethyl)-2,2-dimethylpiperazin-1-yl]methanone?
The IUPAC name of [(5S,7R)-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl]-[4-(2-methoxyethyl)-2,2-dimethylpiperazin-1-yl]methanone (CID 146111341) is [(5S,7R)-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl]-[4-(2-methoxyethyl)-2,2-dimethylpiperazin-1-yl]methanone.
What is the SMILES notation for [(5S,7R)-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl]-[4-(2-methoxyethyl)-2,2-dimethylpiperazin-1-yl]methanone?
The canonical SMILES for [(5S,7R)-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl]-[4-(2-methoxyethyl)-2,2-dimethylpiperazin-1-yl]methanone is COCCN1CCN(C(=O)c2n[nH]c3c2C[C@H](C)O[C@@H]3C)C(C)(C)C1.
What is the InChIKey of [(5S,7R)-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl]-[4-(2-methoxyethyl)-2,2-dimethylpiperazin-1-yl]methanone?
The InChIKey is JLTYRJGKGKBYEA-QWHCGFSZSA-N. The full InChI is InChI=1S/C18H30N4O3/c1-12-10-14-15(13(2)25-12)19-20-16(14)17(23)22-7-6-21(8-9-24-5)11-18(22,3)4/h12-13H,6-11H2,1-5H3,(H,19,20)/t12-,13+/m0/s1.
What are the key properties of [(5S,7R)-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl]-[4-(2-methoxyethyl)-2,2-dimethylpiperazin-1-yl]methanone?
[(5S,7R)-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl]-[4-(2-methoxyethyl)-2,2-dimethylpiperazin-1-yl]methanone has a molecular weight of 350.46 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(5S,7R)-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl]-[4-(2-methoxyethyl)-2,2-dimethylpiperazin-1-yl]methanone is sourced from PubChem (CID 146111341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).