(5S,7R)-2-(2-methoxyethyl)-5,7-dimethyl-N-[(4-methyl-1,2-oxazol-3-yl)methyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide

C17H24N4O4 — CID 146093834

IUPAC(5S,7R)-2-(2-methoxyethyl)-5,7-dimethyl-N-[(4-methyl-1,2-oxazol-3-yl)methyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide
SMILESCOCCn1nc2c(c1C(=O)NCc1nocc1C)C[C@H](C)O[C@@H]2C
InChIInChI=1S/C17H24N4O4/c1-10-9-24-20-14(10)8-18-17(22)16-13-7-11(2)25-12(3)15(13)19-21(16)5-6-23-4/h9,11-12H,5-8H2,1-4H3,(H,18,22)/t11-,12+/m0/s1
InChIKeyIIJZHDLEUWAANH-NWDGAFQWSA-N
MW348.40 g/mol
LogP1.78
Rot. Bonds6

About (5S,7R)-2-(2-methoxyethyl)-5,7-dimethyl-N-[(4-methyl-1,2-oxazol-3-yl)methyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide

(5S,7R)-2-(2-methoxyethyl)-5,7-dimethyl-N-[(4-methyl-1,2-oxazol-3-yl)methyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide (PubChem CID 146093834) has the molecular formula C17H24N4O4 and a molecular weight of 348.40 g/mol. Its IUPAC name is (5S,7R)-2-(2-methoxyethyl)-5,7-dimethyl-N-[(4-methyl-1,2-oxazol-3-yl)methyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide.

Molecular Properties

Compound Name(5S,7R)-2-(2-methoxyethyl)-5,7-dimethyl-N-[(4-methyl-1,2-oxazol-3-yl)methyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide
PubChem CID146093834
Molecular FormulaC17H24N4O4
Molecular Weight348.40 g/mol
Exact Mass348.18
IUPAC Name(5S,7R)-2-(2-methoxyethyl)-5,7-dimethyl-N-[(4-methyl-1,2-oxazol-3-yl)methyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide
SMILESCOCCn1nc2c(c1C(=O)NCc1nocc1C)C[C@H](C)O[C@@H]2C
InChIInChI=1S/C17H24N4O4/c1-10-9-24-20-14(10)8-18-17(22)16-13-7-11(2)25-12(3)15(13)19-21(16)5-6-23-4/h9,11-12H,5-8H2,1-4H3,(H,18,22)/t11-,12+/m0/s1
InChIKeyIIJZHDLEUWAANH-NWDGAFQWSA-N
XLogP1.78
TPSA91.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (5S,7R)-2-(2-methoxyethyl)-5,7-dimethyl-N-[(4-methyl-1,2-oxazol-3-yl)methyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide with MolForge

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Related Compounds

(5R,7S)-2-(2-methoxyethyl)-N,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide
CID 146093602
(5S,7R)-2-(2-methoxyethyl)-5,7-dimethyl-N-[(4-methyl-3-pyridinyl)methyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide
CID 146093679
(5S,7R)-N-(2-hydroxy-2-methylpropyl)-2-(2-methoxyethyl)-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide
CID 146093618
(5S,7R)-2-(2-methoxyethyl)-5,7-dimethyl-N-[(4-propan-2-yl-1H-pyrazol-5-yl)methyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide
CID 146076417
(5S,7R)-N-[(3-hydroxycyclobutyl)methyl]-2-(2-methoxyethyl)-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide
CID 146093633
(5S,7R)-N-[(4-hydroxycyclohexyl)methyl]-2-(2-methoxyethyl)-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide
CID 146093692
[(5S,7R)-2-(2-methoxyethyl)-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]-(5-oxa-2-azaspiro[3.5]non-7-en-2-yl)methanone
CID 146093600
[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
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
(5R,7S)-N-[(2-fluoro-5-methoxyphenyl)methyl]-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide
CID 146093329
(5S,7R)-N-[2-(dimethylamino)ethyl]-2-ethyl-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide
CID 146100115
(5R,7S)-N-[[3-fluoro-4-(methoxymethyl)phenyl]methyl]-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide
CID 146093381

Frequently Asked Questions

What is the IUPAC name of (5S,7R)-2-(2-methoxyethyl)-5,7-dimethyl-N-[(4-methyl-1,2-oxazol-3-yl)methyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide?
The IUPAC name of (5S,7R)-2-(2-methoxyethyl)-5,7-dimethyl-N-[(4-methyl-1,2-oxazol-3-yl)methyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide (CID 146093834) is (5S,7R)-2-(2-methoxyethyl)-5,7-dimethyl-N-[(4-methyl-1,2-oxazol-3-yl)methyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide.
What is the SMILES notation for (5S,7R)-2-(2-methoxyethyl)-5,7-dimethyl-N-[(4-methyl-1,2-oxazol-3-yl)methyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide?
The canonical SMILES for (5S,7R)-2-(2-methoxyethyl)-5,7-dimethyl-N-[(4-methyl-1,2-oxazol-3-yl)methyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide is COCCn1nc2c(c1C(=O)NCc1nocc1C)C[C@H](C)O[C@@H]2C.
What is the InChIKey of (5S,7R)-2-(2-methoxyethyl)-5,7-dimethyl-N-[(4-methyl-1,2-oxazol-3-yl)methyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide?
The InChIKey is IIJZHDLEUWAANH-NWDGAFQWSA-N. The full InChI is InChI=1S/C17H24N4O4/c1-10-9-24-20-14(10)8-18-17(22)16-13-7-11(2)25-12(3)15(13)19-21(16)5-6-23-4/h9,11-12H,5-8H2,1-4H3,(H,18,22)/t11-,12+/m0/s1.
What are the key properties of (5S,7R)-2-(2-methoxyethyl)-5,7-dimethyl-N-[(4-methyl-1,2-oxazol-3-yl)methyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide?
(5S,7R)-2-(2-methoxyethyl)-5,7-dimethyl-N-[(4-methyl-1,2-oxazol-3-yl)methyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide has a molecular weight of 348.40 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,7R)-2-(2-methoxyethyl)-5,7-dimethyl-N-[(4-methyl-1,2-oxazol-3-yl)methyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide is sourced from PubChem (CID 146093834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).