[(5S,7R)-2-ethyl-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]-[4-(oxan-4-yl)piperazin-1-yl]methanone

C20H32N4O3 — CID 146100266

IUPAC[(5S,7R)-2-ethyl-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]-[4-(oxan-4-yl)piperazin-1-yl]methanone
SMILESCCn1nc2c(c1C(=O)N1CCN(C3CCOCC3)CC1)C[C@H](C)O[C@@H]2C
InChIInChI=1S/C20H32N4O3/c1-4-24-19(17-13-14(2)27-15(3)18(17)21-24)20(25)23-9-7-22(8-10-23)16-5-11-26-12-6-16/h14-16H,4-13H2,1-3H3/t14-,15+/m0/s1
InChIKeyFPVGDBMBQTZAHZ-LSDHHAIUSA-N
MW376.50 g/mol
LogP1.86
Rot. Bonds3

About [(5S,7R)-2-ethyl-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]-[4-(oxan-4-yl)piperazin-1-yl]methanone

[(5S,7R)-2-ethyl-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]-[4-(oxan-4-yl)piperazin-1-yl]methanone (PubChem CID 146100266) has the molecular formula C20H32N4O3 and a molecular weight of 376.50 g/mol. Its IUPAC name is [(5S,7R)-2-ethyl-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]-[4-(oxan-4-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[(5S,7R)-2-ethyl-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]-[4-(oxan-4-yl)piperazin-1-yl]methanone
PubChem CID146100266
Molecular FormulaC20H32N4O3
Molecular Weight376.50 g/mol
Exact Mass376.25
IUPAC Name[(5S,7R)-2-ethyl-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]-[4-(oxan-4-yl)piperazin-1-yl]methanone
SMILESCCn1nc2c(c1C(=O)N1CCN(C3CCOCC3)CC1)C[C@H](C)O[C@@H]2C
InChIInChI=1S/C20H32N4O3/c1-4-24-19(17-13-14(2)27-15(3)18(17)21-24)20(25)23-9-7-22(8-10-23)16-5-11-26-12-6-16/h14-16H,4-13H2,1-3H3/t14-,15+/m0/s1
InChIKeyFPVGDBMBQTZAHZ-LSDHHAIUSA-N
XLogP1.86
TPSA59.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(5S,7R)-2-ethyl-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]-[4-(oxan-4-yl)piperazin-1-yl]methanone with MolForge

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Related Compounds

(4-cyclopropylpiperidin-1-yl)-[(5S,7R)-2-ethyl-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone
CID 146100159
[4-(dimethylamino)piperidin-1-yl]-[(5S,7R)-2-ethyl-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone
CID 146100155
[(5S,7R)-2-ethyl-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone
CID 146100332
[(5S,7R)-2-ethyl-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]-(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)methanone
CID 146100288
[(5S,7R)-2-ethyl-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]-[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 146076941
(5S,7R)-2-ethyl-N,5,7-trimethyl-N-[(3-methyloxetan-3-yl)methyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide
CID 146100140
[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
(5S,7R)-N-[2-(dimethylamino)ethyl]-2-ethyl-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide
CID 146100115
3-[1-[(5S,7R)-2-ethyl-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carbonyl]azetidin-3-yl]oxybenzonitrile
CID 146100323
[4-(1-hydroxycyclopropyl)piperidin-1-yl]-[(5R,7S)-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone
CID 146100536
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
(3-ethyl-3-hydroxyazetidin-1-yl)-[(5R,7S)-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone
CID 146100395

Frequently Asked Questions

What is the IUPAC name of [(5S,7R)-2-ethyl-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]-[4-(oxan-4-yl)piperazin-1-yl]methanone?
The IUPAC name of [(5S,7R)-2-ethyl-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]-[4-(oxan-4-yl)piperazin-1-yl]methanone (CID 146100266) is [(5S,7R)-2-ethyl-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]-[4-(oxan-4-yl)piperazin-1-yl]methanone.
What is the SMILES notation for [(5S,7R)-2-ethyl-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]-[4-(oxan-4-yl)piperazin-1-yl]methanone?
The canonical SMILES for [(5S,7R)-2-ethyl-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]-[4-(oxan-4-yl)piperazin-1-yl]methanone is CCn1nc2c(c1C(=O)N1CCN(C3CCOCC3)CC1)C[C@H](C)O[C@@H]2C.
What is the InChIKey of [(5S,7R)-2-ethyl-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]-[4-(oxan-4-yl)piperazin-1-yl]methanone?
The InChIKey is FPVGDBMBQTZAHZ-LSDHHAIUSA-N. The full InChI is InChI=1S/C20H32N4O3/c1-4-24-19(17-13-14(2)27-15(3)18(17)21-24)20(25)23-9-7-22(8-10-23)16-5-11-26-12-6-16/h14-16H,4-13H2,1-3H3/t14-,15+/m0/s1.
What are the key properties of [(5S,7R)-2-ethyl-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]-[4-(oxan-4-yl)piperazin-1-yl]methanone?
[(5S,7R)-2-ethyl-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]-[4-(oxan-4-yl)piperazin-1-yl]methanone has a molecular weight of 376.50 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(5S,7R)-2-ethyl-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]-[4-(oxan-4-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 146100266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).