4-[(5R,7S)-1-(2-methoxyethyl)-5,7-dimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carbonyl]piperazin-2-one

C16H24N4O4 — CID 146113291

IUPAC4-[(5R,7S)-1-(2-methoxyethyl)-5,7-dimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carbonyl]piperazin-2-one
SMILESCOCCn1nc(C(=O)N2CCNC(=O)C2)c2c1[C@H](C)O[C@H](C)C2
InChIInChI=1S/C16H24N4O4/c1-10-8-12-14(16(22)19-5-4-17-13(21)9-19)18-20(6-7-23-3)15(12)11(2)24-10/h10-11H,4-9H2,1-3H3,(H,17,21)/t10-,11+/m1/s1
InChIKeyXFWQTRAHWRGEAM-MNOVXSKESA-N
MW336.39 g/mol
LogP0.12
Rot. Bonds4

About 4-[(5R,7S)-1-(2-methoxyethyl)-5,7-dimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carbonyl]piperazin-2-one

4-[(5R,7S)-1-(2-methoxyethyl)-5,7-dimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carbonyl]piperazin-2-one (PubChem CID 146113291) has the molecular formula C16H24N4O4 and a molecular weight of 336.39 g/mol. Its IUPAC name is 4-[(5R,7S)-1-(2-methoxyethyl)-5,7-dimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carbonyl]piperazin-2-one.

Molecular Properties

Compound Name4-[(5R,7S)-1-(2-methoxyethyl)-5,7-dimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carbonyl]piperazin-2-one
PubChem CID146113291
Molecular FormulaC16H24N4O4
Molecular Weight336.39 g/mol
Exact Mass336.18
IUPAC Name4-[(5R,7S)-1-(2-methoxyethyl)-5,7-dimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carbonyl]piperazin-2-one
SMILESCOCCn1nc(C(=O)N2CCNC(=O)C2)c2c1[C@H](C)O[C@H](C)C2
InChIInChI=1S/C16H24N4O4/c1-10-8-12-14(16(22)19-5-4-17-13(21)9-19)18-20(6-7-23-3)15(12)11(2)24-10/h10-11H,4-9H2,1-3H3,(H,17,21)/t10-,11+/m1/s1
InChIKeyXFWQTRAHWRGEAM-MNOVXSKESA-N
XLogP0.12
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[(5R,7S)-1-(2-methoxyethyl)-5,7-dimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carbonyl]piperazin-2-one with MolForge

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Launch Full Analysis

Related Compounds

1-[(5S,7R)-1-(2-methoxyethyl)-5,7-dimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carbonyl]-N-methylazetidine-3-carboxamide
CID 146110802
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
[3-hydroxy-3-(methoxymethyl)azetidin-1-yl]-[(5S,7R)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone
CID 146110924
4-[(5S,7R)-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carbonyl]-1-(2-methoxyethyl)-1,4-diazepan-2-one
CID 146115446
4-[1-(2-methoxyethyl)pyrrole-2-carbonyl]piperazin-2-one
CID 114609871
[4-(cyclobutylamino)piperidin-1-yl]-[(5R,7S)-1-ethyl-5,7-dimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone
CID 146111055
[4-(dimethylamino)-4-ethylpiperidin-1-yl]-[(5R,7S)-1-ethyl-5,7-dimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone
CID 146101395
(5R,7S)-2-(2-methoxyethyl)-N,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide
CID 146093602
1,5,2-dioxazepan-2-yl-[(5R,7S)-1-ethyl-5,7-dimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone
CID 146111099
(1-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl)-[(5R,7S)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone
CID 146111023
(3-pyrrolidin-1-ylazetidin-1-yl)-[(5R,7S)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone
CID 146101370
[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-[(5S,7R)-2-(2-methoxyethyl)-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone
CID 146093779

Frequently Asked Questions

What is the IUPAC name of 4-[(5R,7S)-1-(2-methoxyethyl)-5,7-dimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carbonyl]piperazin-2-one?
The IUPAC name of 4-[(5R,7S)-1-(2-methoxyethyl)-5,7-dimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carbonyl]piperazin-2-one (CID 146113291) is 4-[(5R,7S)-1-(2-methoxyethyl)-5,7-dimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carbonyl]piperazin-2-one.
What is the SMILES notation for 4-[(5R,7S)-1-(2-methoxyethyl)-5,7-dimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carbonyl]piperazin-2-one?
The canonical SMILES for 4-[(5R,7S)-1-(2-methoxyethyl)-5,7-dimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carbonyl]piperazin-2-one is COCCn1nc(C(=O)N2CCNC(=O)C2)c2c1[C@H](C)O[C@H](C)C2.
What is the InChIKey of 4-[(5R,7S)-1-(2-methoxyethyl)-5,7-dimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carbonyl]piperazin-2-one?
The InChIKey is XFWQTRAHWRGEAM-MNOVXSKESA-N. The full InChI is InChI=1S/C16H24N4O4/c1-10-8-12-14(16(22)19-5-4-17-13(21)9-19)18-20(6-7-23-3)15(12)11(2)24-10/h10-11H,4-9H2,1-3H3,(H,17,21)/t10-,11+/m1/s1.
What are the key properties of 4-[(5R,7S)-1-(2-methoxyethyl)-5,7-dimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carbonyl]piperazin-2-one?
4-[(5R,7S)-1-(2-methoxyethyl)-5,7-dimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carbonyl]piperazin-2-one has a molecular weight of 336.39 g/mol, XLogP of 0.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5R,7S)-1-(2-methoxyethyl)-5,7-dimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carbonyl]piperazin-2-one is sourced from PubChem (CID 146113291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).