(6R)-3-(2,6-dimethyl-4-pyridinyl)-1-[3-ethoxy-4-(trifluoromethyl)phenyl]-6-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole

C23H24F3N3O2 — CID 142592334

IUPAC(6R)-3-(2,6-dimethyl-4-pyridinyl)-1-[3-ethoxy-4-(trifluoromethyl)phenyl]-6-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole
SMILESCCOc1cc(-n2nc(-c3cc(C)nc(C)c3)c3c2C[C@@H](C)OC3)ccc1C(F)(F)F
InChIInChI=1S/C23H24F3N3O2/c1-5-30-21-11-17(6-7-19(21)23(24,25)26)29-20-10-15(4)31-12-18(20)22(28-29)16-8-13(2)27-14(3)9-16/h6-9,11,15H,5,10,12H2,1-4H3/t15-/m1/s1
InChIKeyCJOCXWYPMSQHTP-OAHLLOKOSA-N
MW431.46 g/mol
LogP5.43
Rot. Bonds4

About (6R)-3-(2,6-dimethyl-4-pyridinyl)-1-[3-ethoxy-4-(trifluoromethyl)phenyl]-6-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole

(6R)-3-(2,6-dimethyl-4-pyridinyl)-1-[3-ethoxy-4-(trifluoromethyl)phenyl]-6-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole (PubChem CID 142592334) has the molecular formula C23H24F3N3O2 and a molecular weight of 431.46 g/mol. Its IUPAC name is (6R)-3-(2,6-dimethyl-4-pyridinyl)-1-[3-ethoxy-4-(trifluoromethyl)phenyl]-6-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole.

Molecular Properties

Compound Name(6R)-3-(2,6-dimethyl-4-pyridinyl)-1-[3-ethoxy-4-(trifluoromethyl)phenyl]-6-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole
PubChem CID142592334
Molecular FormulaC23H24F3N3O2
Molecular Weight431.46 g/mol
Exact Mass431.18
IUPAC Name(6R)-3-(2,6-dimethyl-4-pyridinyl)-1-[3-ethoxy-4-(trifluoromethyl)phenyl]-6-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole
SMILESCCOc1cc(-n2nc(-c3cc(C)nc(C)c3)c3c2C[C@@H](C)OC3)ccc1C(F)(F)F
InChIInChI=1S/C23H24F3N3O2/c1-5-30-21-11-17(6-7-19(21)23(24,25)26)29-20-10-15(4)31-12-18(20)22(28-29)16-8-13(2)27-14(3)9-16/h6-9,11,15H,5,10,12H2,1-4H3/t15-/m1/s1
InChIKeyCJOCXWYPMSQHTP-OAHLLOKOSA-N
XLogP5.43
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.46
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (6R)-3-(2,6-dimethyl-4-pyridinyl)-1-[3-ethoxy-4-(trifluoromethyl)phenyl]-6-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole with MolForge

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Launch Full Analysis

Related Compounds

1-[3-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-3-(2-methyl-4-pyridinyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazole
CID 142592491
(7R)-3-(2,6-dimethyl-4-pyridinyl)-1-(4-fluoro-3-methoxyphenyl)-7-methyl-4,5,7,8-tetrahydrooxepino[4,5-d]pyrazole
CID 142592596
5-[(7R)-1-[3-methoxy-4-(trifluoromethyl)phenyl]-7-methyl-4,5,7,8-tetrahydrooxepino[4,5-d]pyrazol-3-yl]-3-methylpyridin-2-amine
CID 142592338
(7R)-3-(2,6-dimethyl-4-pyridinyl)-7-methyl-1-[3-(trifluoromethoxy)phenyl]-4,5,7,8-tetrahydrooxepino[4,5-d]pyrazole
CID 142592495
(7R)-3-(2,6-dimethyl-4-pyridinyl)-1-(4-fluoro-3-methylphenyl)-7-methyl-4,5,7,8-tetrahydrooxepino[4,5-d]pyrazole
CID 142592496
1-[3-methoxy-4-(trifluoromethyl)phenyl]-6-methyl-N-(6-methyl-3-pyridinyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-3-carboxamide
CID 151594253
(6R)-1-[3-methoxy-4-(trifluoromethyl)phenyl]-6-methyl-3-(pyridin-3-ylmethoxy)-6,7-dihydro-4H-pyrano[4,3-c]pyrazole
CID 147781305
N-(6-fluoro-3-pyridinyl)-1-[3-methoxy-4-(trifluoromethyl)phenyl]-6-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-3-carboxamide
CID 153325696
methyl 5-[(7R)-3-(2,6-dimethyl-4-pyridinyl)-7-methyl-4,5,7,8-tetrahydrooxepino[4,5-d]pyrazol-1-yl]-2-fluorobenzoate
CID 142592405
4-[2-[(6S)-1-[3-methoxy-4-(trifluoromethyl)phenyl]-6-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl]ethynyl]benzenesulfonamide
CID 153325669
6-methyl-1-[3-methyl-4-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-3-carboxylic acid
CID 153325694
4-[(6S)-1-(4-fluorophenyl)-6-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl]benzenesulfonamide
CID 142592346

Frequently Asked Questions

What is the IUPAC name of (6R)-3-(2,6-dimethyl-4-pyridinyl)-1-[3-ethoxy-4-(trifluoromethyl)phenyl]-6-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole?
The IUPAC name of (6R)-3-(2,6-dimethyl-4-pyridinyl)-1-[3-ethoxy-4-(trifluoromethyl)phenyl]-6-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole (CID 142592334) is (6R)-3-(2,6-dimethyl-4-pyridinyl)-1-[3-ethoxy-4-(trifluoromethyl)phenyl]-6-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole.
What is the SMILES notation for (6R)-3-(2,6-dimethyl-4-pyridinyl)-1-[3-ethoxy-4-(trifluoromethyl)phenyl]-6-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole?
The canonical SMILES for (6R)-3-(2,6-dimethyl-4-pyridinyl)-1-[3-ethoxy-4-(trifluoromethyl)phenyl]-6-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole is CCOc1cc(-n2nc(-c3cc(C)nc(C)c3)c3c2C[C@@H](C)OC3)ccc1C(F)(F)F.
What is the InChIKey of (6R)-3-(2,6-dimethyl-4-pyridinyl)-1-[3-ethoxy-4-(trifluoromethyl)phenyl]-6-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole?
The InChIKey is CJOCXWYPMSQHTP-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H24F3N3O2/c1-5-30-21-11-17(6-7-19(21)23(24,25)26)29-20-10-15(4)31-12-18(20)22(28-29)16-8-13(2)27-14(3)9-16/h6-9,11,15H,5,10,12H2,1-4H3/t15-/m1/s1.
What are the key properties of (6R)-3-(2,6-dimethyl-4-pyridinyl)-1-[3-ethoxy-4-(trifluoromethyl)phenyl]-6-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole?
(6R)-3-(2,6-dimethyl-4-pyridinyl)-1-[3-ethoxy-4-(trifluoromethyl)phenyl]-6-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole has a molecular weight of 431.46 g/mol, XLogP of 5.43, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-3-(2,6-dimethyl-4-pyridinyl)-1-[3-ethoxy-4-(trifluoromethyl)phenyl]-6-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole is sourced from PubChem (CID 142592334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).