4-[(5S,7R)-2-(2-methoxyethyl)-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carbonyl]-6,6-dimethylpiperazin-2-one

C18H28N4O4 — CID 146093697

IUPAC4-[(5S,7R)-2-(2-methoxyethyl)-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carbonyl]-6,6-dimethylpiperazin-2-one
SMILESCOCCn1nc2c(c1C(=O)N1CC(=O)NC(C)(C)C1)C[C@H](C)O[C@@H]2C
InChIInChI=1S/C18H28N4O4/c1-11-8-13-15(12(2)26-11)20-22(6-7-25-5)16(13)17(24)21-9-14(23)19-18(3,4)10-21/h11-12H,6-10H2,1-5H3,(H,19,23)/t11-,12+/m0/s1
InChIKeyIPALVYYJVNAAFG-NWDGAFQWSA-N
MW364.45 g/mol
LogP0.90
Rot. Bonds4

About 4-[(5S,7R)-2-(2-methoxyethyl)-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carbonyl]-6,6-dimethylpiperazin-2-one

4-[(5S,7R)-2-(2-methoxyethyl)-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carbonyl]-6,6-dimethylpiperazin-2-one (PubChem CID 146093697) has the molecular formula C18H28N4O4 and a molecular weight of 364.45 g/mol. Its IUPAC name is 4-[(5S,7R)-2-(2-methoxyethyl)-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carbonyl]-6,6-dimethylpiperazin-2-one.

Molecular Properties

Compound Name4-[(5S,7R)-2-(2-methoxyethyl)-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carbonyl]-6,6-dimethylpiperazin-2-one
PubChem CID146093697
Molecular FormulaC18H28N4O4
Molecular Weight364.45 g/mol
Exact Mass364.21
IUPAC Name4-[(5S,7R)-2-(2-methoxyethyl)-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carbonyl]-6,6-dimethylpiperazin-2-one
SMILESCOCCn1nc2c(c1C(=O)N1CC(=O)NC(C)(C)C1)C[C@H](C)O[C@@H]2C
InChIInChI=1S/C18H28N4O4/c1-11-8-13-15(12(2)26-11)20-22(6-7-25-5)16(13)17(24)21-9-14(23)19-18(3,4)10-21/h11-12H,6-10H2,1-5H3,(H,19,23)/t11-,12+/m0/s1
InChIKeyIPALVYYJVNAAFG-NWDGAFQWSA-N
XLogP0.90
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[(5S,7R)-2-(2-methoxyethyl)-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carbonyl]-6,6-dimethylpiperazin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[(5S,7R)-2-(2-methoxyethyl)-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carbonyl]-6,6-dimethylpiperazin-2-one?
The IUPAC name of 4-[(5S,7R)-2-(2-methoxyethyl)-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carbonyl]-6,6-dimethylpiperazin-2-one (CID 146093697) is 4-[(5S,7R)-2-(2-methoxyethyl)-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carbonyl]-6,6-dimethylpiperazin-2-one.
What is the SMILES notation for 4-[(5S,7R)-2-(2-methoxyethyl)-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carbonyl]-6,6-dimethylpiperazin-2-one?
The canonical SMILES for 4-[(5S,7R)-2-(2-methoxyethyl)-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carbonyl]-6,6-dimethylpiperazin-2-one is COCCn1nc2c(c1C(=O)N1CC(=O)NC(C)(C)C1)C[C@H](C)O[C@@H]2C.
What is the InChIKey of 4-[(5S,7R)-2-(2-methoxyethyl)-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carbonyl]-6,6-dimethylpiperazin-2-one?
The InChIKey is IPALVYYJVNAAFG-NWDGAFQWSA-N. The full InChI is InChI=1S/C18H28N4O4/c1-11-8-13-15(12(2)26-11)20-22(6-7-25-5)16(13)17(24)21-9-14(23)19-18(3,4)10-21/h11-12H,6-10H2,1-5H3,(H,19,23)/t11-,12+/m0/s1.
What are the key properties of 4-[(5S,7R)-2-(2-methoxyethyl)-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carbonyl]-6,6-dimethylpiperazin-2-one?
4-[(5S,7R)-2-(2-methoxyethyl)-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carbonyl]-6,6-dimethylpiperazin-2-one has a molecular weight of 364.45 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5S,7R)-2-(2-methoxyethyl)-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carbonyl]-6,6-dimethylpiperazin-2-one is sourced from PubChem (CID 146093697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).