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

C18H30N4O3 — CID 146111327

IUPAC[(5S,7R)-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl]-[4-(1-methoxy-2-methylpropan-2-yl)piperazin-1-yl]methanone
SMILESCOCC(C)(C)N1CCN(C(=O)c2n[nH]c3c2C[C@H](C)O[C@@H]3C)CC1
InChIInChI=1S/C18H30N4O3/c1-12-10-14-15(13(2)25-12)19-20-16(14)17(23)21-6-8-22(9-7-21)18(3,4)11-24-5/h12-13H,6-11H2,1-5H3,(H,19,20)/t12-,13+/m0/s1
InChIKeyLDHBHWLZCVFAII-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-(1-methoxy-2-methylpropan-2-yl)piperazin-1-yl]methanone

[(5S,7R)-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl]-[4-(1-methoxy-2-methylpropan-2-yl)piperazin-1-yl]methanone (PubChem CID 146111327) 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-(1-methoxy-2-methylpropan-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[(5S,7R)-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl]-[4-(1-methoxy-2-methylpropan-2-yl)piperazin-1-yl]methanone
PubChem CID146111327
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-(1-methoxy-2-methylpropan-2-yl)piperazin-1-yl]methanone
SMILESCOCC(C)(C)N1CCN(C(=O)c2n[nH]c3c2C[C@H](C)O[C@@H]3C)CC1
InChIInChI=1S/C18H30N4O3/c1-12-10-14-15(13(2)25-12)19-20-16(14)17(23)21-6-8-22(9-7-21)18(3,4)11-24-5/h12-13H,6-11H2,1-5H3,(H,19,20)/t12-,13+/m0/s1
InChIKeyLDHBHWLZCVFAII-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-(1-methoxy-2-methylpropan-2-yl)piperazin-1-yl]methanone with MolForge

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Related Compounds

[(5S,7R)-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl]-[4-(methoxymethyl)-4-methylpiperidin-1-yl]methanone
CID 146103051
[(5R,7S)-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl]-morpholin-4-ylmethanone
CID 146115592
7-azaspiro[3.5]nonan-7-yl-[(5R,7S)-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl]methanone
CID 146103176
(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)-[(5R,7S)-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl]methanone
CID 146115488
(4-cyclopentylpiperidin-1-yl)-[(5R,7S)-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl]methanone
CID 146102963
[(5R,7S)-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl]-[4-(1H-pyrazol-4-ylmethyl)piperazin-1-yl]methanone
CID 167832385
[4-(azetidin-1-yl)-4-methylpiperidin-1-yl]-[(5R,7S)-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl]methanone
CID 146101794
[(5R,7S)-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl]-(9-hydroxy-3-azaspiro[5.5]undecan-3-yl)methanone
CID 167798377
[3-(cyclopropylmethyl)azetidin-1-yl]-[(5R,7S)-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl]methanone
CID 146111377
[(5R,7S)-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl]-[3-(trifluoromethoxy)azetidin-1-yl]methanone
CID 146111465
(4-benzylidenepiperidin-1-yl)-[(5R,7S)-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl]methanone
CID 146102981
[(5S,7R)-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl]-[4-(4-methoxyphenyl)piperidin-1-yl]methanone
CID 146102968

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-(1-methoxy-2-methylpropan-2-yl)piperazin-1-yl]methanone?
The IUPAC name of [(5S,7R)-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl]-[4-(1-methoxy-2-methylpropan-2-yl)piperazin-1-yl]methanone (CID 146111327) is [(5S,7R)-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl]-[4-(1-methoxy-2-methylpropan-2-yl)piperazin-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-(1-methoxy-2-methylpropan-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for [(5S,7R)-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl]-[4-(1-methoxy-2-methylpropan-2-yl)piperazin-1-yl]methanone is COCC(C)(C)N1CCN(C(=O)c2n[nH]c3c2C[C@H](C)O[C@@H]3C)CC1.
What is the InChIKey of [(5S,7R)-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl]-[4-(1-methoxy-2-methylpropan-2-yl)piperazin-1-yl]methanone?
The InChIKey is LDHBHWLZCVFAII-QWHCGFSZSA-N. The full InChI is InChI=1S/C18H30N4O3/c1-12-10-14-15(13(2)25-12)19-20-16(14)17(23)21-6-8-22(9-7-21)18(3,4)11-24-5/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-(1-methoxy-2-methylpropan-2-yl)piperazin-1-yl]methanone?
[(5S,7R)-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl]-[4-(1-methoxy-2-methylpropan-2-yl)piperazin-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-(1-methoxy-2-methylpropan-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 146111327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).