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

C20H19ClFN3O — CID 142592578

IUPAC(6R)-1-(4-chloro-3-fluorophenyl)-3-(2,6-dimethyl-4-pyridinyl)-6-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole
SMILESCc1cc(-c2nn(-c3ccc(Cl)c(F)c3)c3c2CO[C@H](C)C3)cc(C)n1
InChIInChI=1S/C20H19ClFN3O/c1-11-6-14(7-12(2)23-11)20-16-10-26-13(3)8-19(16)25(24-20)15-4-5-17(21)18(22)9-15/h4-7,9,13H,8,10H2,1-3H3/t13-/m1/s1
InChIKeyIERFJXLFMLIZGM-CYBMUJFWSA-N
MW371.84 g/mol
LogP4.80
Rot. Bonds2

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

(6R)-1-(4-chloro-3-fluorophenyl)-3-(2,6-dimethyl-4-pyridinyl)-6-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole (PubChem CID 142592578) has the molecular formula C20H19ClFN3O and a molecular weight of 371.84 g/mol. Its IUPAC name is (6R)-1-(4-chloro-3-fluorophenyl)-3-(2,6-dimethyl-4-pyridinyl)-6-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole.

Molecular Properties

Compound Name(6R)-1-(4-chloro-3-fluorophenyl)-3-(2,6-dimethyl-4-pyridinyl)-6-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole
PubChem CID142592578
Molecular FormulaC20H19ClFN3O
Molecular Weight371.84 g/mol
Exact Mass371.12
IUPAC Name(6R)-1-(4-chloro-3-fluorophenyl)-3-(2,6-dimethyl-4-pyridinyl)-6-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole
SMILESCc1cc(-c2nn(-c3ccc(Cl)c(F)c3)c3c2CO[C@H](C)C3)cc(C)n1
InChIInChI=1S/C20H19ClFN3O/c1-11-6-14(7-12(2)23-11)20-16-10-26-13(3)8-19(16)25(24-20)15-4-5-17(21)18(22)9-15/h4-7,9,13H,8,10H2,1-3H3/t13-/m1/s1
InChIKeyIERFJXLFMLIZGM-CYBMUJFWSA-N
XLogP4.80
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.84
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(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
(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
(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-(4-chloro-3-fluorophenyl)-7-methyl-4,5,7,8-tetrahydrooxepino[4,5-d]pyrazol-3-yl]pyridin-2-amine
CID 156689097
(6S)-1-(3-chloro-4-fluorophenyl)-3-iodo-6-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole
CID 142592470
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
(7R)-1-(3-chloro-4-fluorophenyl)-7-methyl-3-(6-methyl-3-pyridinyl)-4,5,7,8-tetrahydrooxepino[4,5-d]pyrazole;hydrochloride
CID 142592340
(7R)-1-(3-chloro-4-fluorophenyl)-7-methyl-3-(4-methylsulfanylphenyl)-4,5,7,8-tetrahydrooxepino[4,5-d]pyrazole
CID 142592536
(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)-1-(3-chloro-4-fluorophenyl)-7-methyl-3-(3-methylsulfanylphenyl)-4,5,7,8-tetrahydrooxepino[4,5-d]pyrazole
CID 142592604
4-[(6S)-1-(4-fluorophenyl)-6-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl]benzenesulfonamide
CID 142592346
3-(4-chloro-3-fluorophenyl)-1-(2,6-dimethyl-4-pyridinyl)-6-methyl-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]oxazepine
CID 122580906

Frequently Asked Questions

What is the IUPAC name of (6R)-1-(4-chloro-3-fluorophenyl)-3-(2,6-dimethyl-4-pyridinyl)-6-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole?
The IUPAC name of (6R)-1-(4-chloro-3-fluorophenyl)-3-(2,6-dimethyl-4-pyridinyl)-6-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole (CID 142592578) is (6R)-1-(4-chloro-3-fluorophenyl)-3-(2,6-dimethyl-4-pyridinyl)-6-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole.
What is the SMILES notation for (6R)-1-(4-chloro-3-fluorophenyl)-3-(2,6-dimethyl-4-pyridinyl)-6-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole?
The canonical SMILES for (6R)-1-(4-chloro-3-fluorophenyl)-3-(2,6-dimethyl-4-pyridinyl)-6-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole is Cc1cc(-c2nn(-c3ccc(Cl)c(F)c3)c3c2CO[C@H](C)C3)cc(C)n1.
What is the InChIKey of (6R)-1-(4-chloro-3-fluorophenyl)-3-(2,6-dimethyl-4-pyridinyl)-6-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole?
The InChIKey is IERFJXLFMLIZGM-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H19ClFN3O/c1-11-6-14(7-12(2)23-11)20-16-10-26-13(3)8-19(16)25(24-20)15-4-5-17(21)18(22)9-15/h4-7,9,13H,8,10H2,1-3H3/t13-/m1/s1.
What are the key properties of (6R)-1-(4-chloro-3-fluorophenyl)-3-(2,6-dimethyl-4-pyridinyl)-6-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole?
(6R)-1-(4-chloro-3-fluorophenyl)-3-(2,6-dimethyl-4-pyridinyl)-6-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole has a molecular weight of 371.84 g/mol, XLogP of 4.80, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-1-(4-chloro-3-fluorophenyl)-3-(2,6-dimethyl-4-pyridinyl)-6-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole is sourced from PubChem (CID 142592578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).