4-butyl-5-(3-cyclopropyl-5-ethenyl-4,5-dihydro-1H-pyrazol-4-yl)-2-(5-methyl-1H-pyrazol-4-yl)-1,2-dihydropyridine;4-butyl-5-(5-ethenyl-3-prop-1-en-2-yl-4,5-dihydro-1H-pyrazol-4-yl)-2-(5-methyl-1H-pyrazol-4-yl)-1,2-dihydropyridine;4-butyl-5-[5-[(E)-2-fluoroethenyl]-3-methyl-4,5-dihydro-1H-pyrazol-4-yl]-2-(5-methyl-1H-pyrazol-4-yl)pyridine;2-[4-[4-butyl-6-(5-methyl-1H-pyrazol-4-yl)-3-pyridinyl]-5-ethenylpyrazol-1-yl]ethanol;1-ethyl-7-(5-methyl-1H-pyrazol-4-yl)-6,7,8,9,10,11-hexahydro-2H-pyrazolo[4,3-a]phenanthridine;4-fluoro-1-methyl-7-(5-methyl-1H-pyrazol-4-yl)-6,7,8,9,10,11-hexahydro-2H-pyrazolo[4,3-a]phenanthridine

C120H150F2N30O — CID 158658700

IUPAC4-butyl-5-(3-cyclopropyl-5-ethenyl-4,5-dihydro-1H-pyrazol-4-yl)-2-(5-methyl-1H-pyrazol-4-yl)-1,2-dihydropyridine;4-butyl-5-(5-ethenyl-3-prop-1-en-2-yl-4,5-dihydro-1H-pyrazol-4-yl)-2-(5-methyl-1H-pyrazol-4-yl)-1,2-dihydropyridine;4-butyl-5-[5-[(E)-2-fluoroethenyl]-3-methyl-4,5-dihydro-1H-pyrazol-4-yl]-2-(5-methyl-1H-pyrazol-4-yl)pyridine;2-[4-[4-butyl-6-(5-methyl-1H-pyrazol-4-yl)-3-pyridinyl]-5-ethenylpyrazol-1-yl]ethanol;1-ethyl-7-(5-methyl-1H-pyrazol-4-yl)-6,7,8,9,10,11-hexahydro-2H-pyrazolo[4,3-a]phenanthridine;4-fluoro-1-methyl-7-(5-methyl-1H-pyrazol-4-yl)-6,7,8,9,10,11-hexahydro-2H-pyrazolo[4,3-a]phenanthridine
SMILESC=CC1NN=C(C(=C)C)C1C1=CNC(c2cn[nH]c2C)C=C1CCCC.C=CC1NN=C(C2CC2)C1C1=CNC(c2cn[nH]c2C)C=C1CCCC.C=Cc1c(-c2cnc(-c3cn[nH]c3C)cc2CCCC)cnn1CCO.CCCCc1cc(-c2cn[nH]c2C)ncc1C1C(C)=NNC1/C=C/F.CCc1[nH]nc2ccc3c(c12)C1=C(CCCC1)C(c1cn[nH]c1C)N3.Cc1[nH]ncc1C1Nc2cc(F)c3n[nH]c(C)c3c2C2=C1CCCC2
InChIInChI=1S/2C21H29N5.C20H25N5O.C20H23N5.C19H20FN5.C19H24FN5/c1-4-6-7-15-10-19(16-12-23-24-13(16)3)22-11-17(15)20-18(5-2)25-26-21(20)14-8-9-14;1-6-8-9-15-10-19(16-12-23-24-14(16)5)22-11-17(15)20-18(7-2)25-26-21(20)13(3)4;1-4-6-7-15-10-19(16-12-22-24-14(16)3)21-11-17(15)18-13-23-25(8-9-26)20(18)5-2;1-3-15-19-17(25-24-15)9-8-16-18(19)12-6-4-5-7-13(12)20(22-16)14-10-21-23-11(14)2;1-9-13(8-21-23-9)18-12-6-4-3-5-11(12)17-15(22-18)7-14(20)19-16(17)10(2)24-25-19;1-4-5-6-14-9-18(15-11-22-23-12(15)2)21-10-16(14)19-13(3)24-25-17(19)7-8-20/h5,10-12,14,18-20,22,25H,2,4,6-9H2,1,3H3,(H,23,24);7,10-12,18-20,22,25H,2-3,6,8-9H2,1,4-5H3,(H,23,24);5,10-13,26H,2,4,6-9H2,1,3H3,(H,22,24);8-10,20,22H,3-7H2,1-2H3,(H,21,23)(H,24,25);7-8,18,22H,3-6H2,1-2H3,(H,21,23)(H,24,25);7-11,17,19,25H,4-6H2,1-3H3,(H,22,23)/b;;;;;8-7+
InChIKeyICMCODASIWWPIT-MPZKFBPQSA-N
MW2066.72 g/mol
LogP24.82
Rot. Bonds31

About 4-butyl-5-(3-cyclopropyl-5-ethenyl-4,5-dihydro-1H-pyrazol-4-yl)-2-(5-methyl-1H-pyrazol-4-yl)-1,2-dihydropyridine;4-butyl-5-(5-ethenyl-3-prop-1-en-2-yl-4,5-dihydro-1H-pyrazol-4-yl)-2-(5-methyl-1H-pyrazol-4-yl)-1,2-dihydropyridine;4-butyl-5-[5-[(E)-2-fluoroethenyl]-3-methyl-4,5-dihydro-1H-pyrazol-4-yl]-2-(5-methyl-1H-pyrazol-4-yl)pyridine;2-[4-[4-butyl-6-(5-methyl-1H-pyrazol-4-yl)-3-pyridinyl]-5-ethenylpyrazol-1-yl]ethanol;1-ethyl-7-(5-methyl-1H-pyrazol-4-yl)-6,7,8,9,10,11-hexahydro-2H-pyrazolo[4,3-a]phenanthridine;4-fluoro-1-methyl-7-(5-methyl-1H-pyrazol-4-yl)-6,7,8,9,10,11-hexahydro-2H-pyrazolo[4,3-a]phenanthridine

4-butyl-5-(3-cyclopropyl-5-ethenyl-4,5-dihydro-1H-pyrazol-4-yl)-2-(5-methyl-1H-pyrazol-4-yl)-1,2-dihydropyridine;4-butyl-5-(5-ethenyl-3-prop-1-en-2-yl-4,5-dihydro-1H-pyrazol-4-yl)-2-(5-methyl-1H-pyrazol-4-yl)-1,2-dihydropyridine;4-butyl-5-[5-[(E)-2-fluoroethenyl]-3-methyl-4,5-dihydro-1H-pyrazol-4-yl]-2-(5-methyl-1H-pyrazol-4-yl)pyridine;2-[4-[4-butyl-6-(5-methyl-1H-pyrazol-4-yl)-3-pyridinyl]-5-ethenylpyrazol-1-yl]ethanol;1-ethyl-7-(5-methyl-1H-pyrazol-4-yl)-6,7,8,9,10,11-hexahydro-2H-pyrazolo[4,3-a]phenanthridine;4-fluoro-1-methyl-7-(5-methyl-1H-pyrazol-4-yl)-6,7,8,9,10,11-hexahydro-2H-pyrazolo[4,3-a]phenanthridine (PubChem CID 158658700) has the molecular formula C120H150F2N30O and a molecular weight of 2066.72 g/mol. Its IUPAC name is 4-butyl-5-(3-cyclopropyl-5-ethenyl-4,5-dihydro-1H-pyrazol-4-yl)-2-(5-methyl-1H-pyrazol-4-yl)-1,2-dihydropyridine;4-butyl-5-(5-ethenyl-3-prop-1-en-2-yl-4,5-dihydro-1H-pyrazol-4-yl)-2-(5-methyl-1H-pyrazol-4-yl)-1,2-dihydropyridine;4-butyl-5-[5-[(E)-2-fluoroethenyl]-3-methyl-4,5-dihydro-1H-pyrazol-4-yl]-2-(5-methyl-1H-pyrazol-4-yl)pyridine;2-[4-[4-butyl-6-(5-methyl-1H-pyrazol-4-yl)-3-pyridinyl]-5-ethenylpyrazol-1-yl]ethanol;1-ethyl-7-(5-methyl-1H-pyrazol-4-yl)-6,7,8,9,10,11-hexahydro-2H-pyrazolo[4,3-a]phenanthridine;4-fluoro-1-methyl-7-(5-methyl-1H-pyrazol-4-yl)-6,7,8,9,10,11-hexahydro-2H-pyrazolo[4,3-a]phenanthridine.

Molecular Properties

Compound Name4-butyl-5-(3-cyclopropyl-5-ethenyl-4,5-dihydro-1H-pyrazol-4-yl)-2-(5-methyl-1H-pyrazol-4-yl)-1,2-dihydropyridine;4-butyl-5-(5-ethenyl-3-prop-1-en-2-yl-4,5-dihydro-1H-pyrazol-4-yl)-2-(5-methyl-1H-pyrazol-4-yl)-1,2-dihydropyridine;4-butyl-5-[5-[(E)-2-fluoroethenyl]-3-methyl-4,5-dihydro-1H-pyrazol-4-yl]-2-(5-methyl-1H-pyrazol-4-yl)pyridine;2-[4-[4-butyl-6-(5-methyl-1H-pyrazol-4-yl)-3-pyridinyl]-5-ethenylpyrazol-1-yl]ethanol;1-ethyl-7-(5-methyl-1H-pyrazol-4-yl)-6,7,8,9,10,11-hexahydro-2H-pyrazolo[4,3-a]phenanthridine;4-fluoro-1-methyl-7-(5-methyl-1H-pyrazol-4-yl)-6,7,8,9,10,11-hexahydro-2H-pyrazolo[4,3-a]phenanthridine
PubChem CID158658700
Molecular FormulaC120H150F2N30O
Molecular Weight2066.72 g/mol
Exact Mass2065.26
IUPAC Name4-butyl-5-(3-cyclopropyl-5-ethenyl-4,5-dihydro-1H-pyrazol-4-yl)-2-(5-methyl-1H-pyrazol-4-yl)-1,2-dihydropyridine;4-butyl-5-(5-ethenyl-3-prop-1-en-2-yl-4,5-dihydro-1H-pyrazol-4-yl)-2-(5-methyl-1H-pyrazol-4-yl)-1,2-dihydropyridine;4-butyl-5-[5-[(E)-2-fluoroethenyl]-3-methyl-4,5-dihydro-1H-pyrazol-4-yl]-2-(5-methyl-1H-pyrazol-4-yl)pyridine;2-[4-[4-butyl-6-(5-methyl-1H-pyrazol-4-yl)-3-pyridinyl]-5-ethenylpyrazol-1-yl]ethanol;1-ethyl-7-(5-methyl-1H-pyrazol-4-yl)-6,7,8,9,10,11-hexahydro-2H-pyrazolo[4,3-a]phenanthridine;4-fluoro-1-methyl-7-(5-methyl-1H-pyrazol-4-yl)-6,7,8,9,10,11-hexahydro-2H-pyrazolo[4,3-a]phenanthridine
SMILESC=CC1NN=C(C(=C)C)C1C1=CNC(c2cn[nH]c2C)C=C1CCCC.C=CC1NN=C(C2CC2)C1C1=CNC(c2cn[nH]c2C)C=C1CCCC.C=Cc1c(-c2cnc(-c3cn[nH]c3C)cc2CCCC)cnn1CCO.CCCCc1cc(-c2cn[nH]c2C)ncc1C1C(C)=NNC1/C=C/F.CCc1[nH]nc2ccc3c(c12)C1=C(CCCC1)C(c1cn[nH]c1C)N3.Cc1[nH]ncc1C1Nc2cc(F)c3n[nH]c(C)c3c2C2=C1CCCC2
InChIInChI=1S/2C21H29N5.C20H25N5O.C20H23N5.C19H20FN5.C19H24FN5/c1-4-6-7-15-10-19(16-12-23-24-13(16)3)22-11-17(15)20-18(5-2)25-26-21(20)14-8-9-14;1-6-8-9-15-10-19(16-12-23-24-14(16)5)22-11-17(15)20-18(7-2)25-26-21(20)13(3)4;1-4-6-7-15-10-19(16-12-22-24-14(16)3)21-11-17(15)18-13-23-25(8-9-26)20(18)5-2;1-3-15-19-17(25-24-15)9-8-16-18(19)12-6-4-5-7-13(12)20(22-16)14-10-21-23-11(14)2;1-9-13(8-21-23-9)18-12-6-4-3-5-11(12)17-15(22-18)7-14(20)19-16(17)10(2)24-25-19;1-4-5-6-14-9-18(15-11-22-23-12(15)2)21-10-16(14)19-13(3)24-25-17(19)7-8-20/h5,10-12,14,18-20,22,25H,2,4,6-9H2,1,3H3,(H,23,24);7,10-12,18-20,22,25H,2-3,6,8-9H2,1,4-5H3,(H,23,24);5,10-13,26H,2,4,6-9H2,1,3H3,(H,22,24);8-10,20,22H,3-7H2,1-2H3,(H,21,23)(H,24,25);7-8,18,22H,3-6H2,1-2H3,(H,21,23)(H,24,25);7-11,17,19,25H,4-6H2,1-3H3,(H,22,23)/b;;;;;8-7+
InChIKeyICMCODASIWWPIT-MPZKFBPQSA-N
XLogP24.82
TPSA414.56 Ų
H-Bond Donors16
H-Bond Acceptors23
Rotatable Bonds31
Heavy Atoms153
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002066.72
LogP ≤ 524.82
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-butyl-5-(3-cyclopropyl-5-ethenyl-4,5-dihydro-1H-pyrazol-4-yl)-2-(5-methyl-1H-pyrazol-4-yl)-1,2-dihydropyridine;4-butyl-5-(5-ethenyl-3-prop-1-en-2-yl-4,5-dihydro-1H-pyrazol-4-yl)-2-(5-methyl-1H-pyrazol-4-yl)-1,2-dihydropyridine;4-butyl-5-[5-[(E)-2-fluoroethenyl]-3-methyl-4,5-dihydro-1H-pyrazol-4-yl]-2-(5-methyl-1H-pyrazol-4-yl)pyridine;2-[4-[4-butyl-6-(5-methyl-1H-pyrazol-4-yl)-3-pyridinyl]-5-ethenylpyrazol-1-yl]ethanol;1-ethyl-7-(5-methyl-1H-pyrazol-4-yl)-6,7,8,9,10,11-hexahydro-2H-pyrazolo[4,3-a]phenanthridine;4-fluoro-1-methyl-7-(5-methyl-1H-pyrazol-4-yl)-6,7,8,9,10,11-hexahydro-2H-pyrazolo[4,3-a]phenanthridine with MolForge

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Related Compounds

(2R,6S)-2,6-dimethyl-4-[[4-[(E)-2-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]ethenyl]phenyl]methyl]morpholine
CID 162624203
2-[4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]piperidin-1-yl]ethanol;6-fluoro-3-(1-piperidin-4-ylpyrazol-4-yl)-1H-indole;3-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]-1H-indole
CID 118064603
1-[[5-[3-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]amino]-3-methylbutan-1-ol
CID 137551307
cyclopropyl-[[5-[3-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]amino]methanol
CID 137551319
2-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydropyrazolo[4,3-a]phenanthridin-3-yl]ethanol
CID 142445225
9-(4-methylpiperazin-1-yl)-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3-[1-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinolin-9-yl]piperidin-3-yl]pyrazolo[4,5-f]quinoline
CID 155151633
9-cyclopropyl-7-[3-(trifluoromethyl)-1H-pyrazol-4-yl]-3-[3-[7-[3-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinolin-9-yl]phenyl]pyrazolo[4,5-f]quinoline
CID 155151676
2-[4-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]triazol-1-yl]ethanol
CID 155151719
2-[ethyl-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinolin-9-yl]amino]ethanol
CID 155152033
4-[[3-amino-1-(cyclohexen-1-yl)-2-methanimidoylbut-2-enylidene]amino]-2-(4-methylpiperazine-1-carboximidoyl)aniline;7-(3-amino-1-iminobut-2-en-2-yl)-9-methyl-8-propyl-3a,6,7,9b-tetrahydro-3H-pyrazolo[4,3-f]quinolin-1-amine;N-[4-[4-butyl-6-(5-methyl-1H-pyrazol-4-yl)-3-pyridinyl]-5-ethenyl-1H-pyrazol-3-yl]-N',N'-dimethylethane-1,2-diamine;4-imino-3-(1-morpholin-4-yl-3a,8,9,10,11,11c-hexahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl)but-2-en-2-amine;2-[methyl-[7-(5-methyl-1H-pyrazol-4-yl)-3a,8,9,10,11,11c-hexahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]amino]ethanol;7-(5-methyl-1H-pyrazol-4-yl)-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-6,7,8,9,10,11-hexahydro-3H-pyrazolo[4,3-a]phenanthridine;hydrofluoride
CID 159935572
N-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]methyl]indol-5-yl]acetamide;N-[1-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide;N-[1-[[4-(1H-pyrazol-5-yl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide;N-[1-[[4-(1H-pyrazol-5-yl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide;N-[1-[[4-(1H-pyrazol-5-yl)phenyl]methyl]indol-5-yl]acetamide
CID 161126791
benzene;7-(5-methyl-1H-pyrazol-4-yl)-3a,6,7,9b-tetrahydro-3H-pyrazolo[4,3-f]quinolin-9-ol;4-[7-(5-methyl-1H-pyrazol-4-yl)-3a,8,9,10,11,11c-hexahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]morpholine;3-[7-(5-methyl-1H-pyrazol-4-yl)-3a,6,7,8,9,10,11,11c-octahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]prop-2-yn-1-amine;7-(5-methyl-1H-pyrazol-4-yl)-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-6,7,8,9,10,11-hexahydro-3H-pyrazolo[4,3-a]phenanthridine;hydrochloride;hydrofluoride
CID 163797732

Frequently Asked Questions

What is the IUPAC name of 4-butyl-5-(3-cyclopropyl-5-ethenyl-4,5-dihydro-1H-pyrazol-4-yl)-2-(5-methyl-1H-pyrazol-4-yl)-1,2-dihydropyridine;4-butyl-5-(5-ethenyl-3-prop-1-en-2-yl-4,5-dihydro-1H-pyrazol-4-yl)-2-(5-methyl-1H-pyrazol-4-yl)-1,2-dihydropyridine;4-butyl-5-[5-[(E)-2-fluoroethenyl]-3-methyl-4,5-dihydro-1H-pyrazol-4-yl]-2-(5-methyl-1H-pyrazol-4-yl)pyridine;2-[4-[4-butyl-6-(5-methyl-1H-pyrazol-4-yl)-3-pyridinyl]-5-ethenylpyrazol-1-yl]ethanol;1-ethyl-7-(5-methyl-1H-pyrazol-4-yl)-6,7,8,9,10,11-hexahydro-2H-pyrazolo[4,3-a]phenanthridine;4-fluoro-1-methyl-7-(5-methyl-1H-pyrazol-4-yl)-6,7,8,9,10,11-hexahydro-2H-pyrazolo[4,3-a]phenanthridine?
The IUPAC name of 4-butyl-5-(3-cyclopropyl-5-ethenyl-4,5-dihydro-1H-pyrazol-4-yl)-2-(5-methyl-1H-pyrazol-4-yl)-1,2-dihydropyridine;4-butyl-5-(5-ethenyl-3-prop-1-en-2-yl-4,5-dihydro-1H-pyrazol-4-yl)-2-(5-methyl-1H-pyrazol-4-yl)-1,2-dihydropyridine;4-butyl-5-[5-[(E)-2-fluoroethenyl]-3-methyl-4,5-dihydro-1H-pyrazol-4-yl]-2-(5-methyl-1H-pyrazol-4-yl)pyridine;2-[4-[4-butyl-6-(5-methyl-1H-pyrazol-4-yl)-3-pyridinyl]-5-ethenylpyrazol-1-yl]ethanol;1-ethyl-7-(5-methyl-1H-pyrazol-4-yl)-6,7,8,9,10,11-hexahydro-2H-pyrazolo[4,3-a]phenanthridine;4-fluoro-1-methyl-7-(5-methyl-1H-pyrazol-4-yl)-6,7,8,9,10,11-hexahydro-2H-pyrazolo[4,3-a]phenanthridine (CID 158658700) is 4-butyl-5-(3-cyclopropyl-5-ethenyl-4,5-dihydro-1H-pyrazol-4-yl)-2-(5-methyl-1H-pyrazol-4-yl)-1,2-dihydropyridine;4-butyl-5-(5-ethenyl-3-prop-1-en-2-yl-4,5-dihydro-1H-pyrazol-4-yl)-2-(5-methyl-1H-pyrazol-4-yl)-1,2-dihydropyridine;4-butyl-5-[5-[(E)-2-fluoroethenyl]-3-methyl-4,5-dihydro-1H-pyrazol-4-yl]-2-(5-methyl-1H-pyrazol-4-yl)pyridine;2-[4-[4-butyl-6-(5-methyl-1H-pyrazol-4-yl)-3-pyridinyl]-5-ethenylpyrazol-1-yl]ethanol;1-ethyl-7-(5-methyl-1H-pyrazol-4-yl)-6,7,8,9,10,11-hexahydro-2H-pyrazolo[4,3-a]phenanthridine;4-fluoro-1-methyl-7-(5-methyl-1H-pyrazol-4-yl)-6,7,8,9,10,11-hexahydro-2H-pyrazolo[4,3-a]phenanthridine.
What is the SMILES notation for 4-butyl-5-(3-cyclopropyl-5-ethenyl-4,5-dihydro-1H-pyrazol-4-yl)-2-(5-methyl-1H-pyrazol-4-yl)-1,2-dihydropyridine;4-butyl-5-(5-ethenyl-3-prop-1-en-2-yl-4,5-dihydro-1H-pyrazol-4-yl)-2-(5-methyl-1H-pyrazol-4-yl)-1,2-dihydropyridine;4-butyl-5-[5-[(E)-2-fluoroethenyl]-3-methyl-4,5-dihydro-1H-pyrazol-4-yl]-2-(5-methyl-1H-pyrazol-4-yl)pyridine;2-[4-[4-butyl-6-(5-methyl-1H-pyrazol-4-yl)-3-pyridinyl]-5-ethenylpyrazol-1-yl]ethanol;1-ethyl-7-(5-methyl-1H-pyrazol-4-yl)-6,7,8,9,10,11-hexahydro-2H-pyrazolo[4,3-a]phenanthridine;4-fluoro-1-methyl-7-(5-methyl-1H-pyrazol-4-yl)-6,7,8,9,10,11-hexahydro-2H-pyrazolo[4,3-a]phenanthridine?
The canonical SMILES for 4-butyl-5-(3-cyclopropyl-5-ethenyl-4,5-dihydro-1H-pyrazol-4-yl)-2-(5-methyl-1H-pyrazol-4-yl)-1,2-dihydropyridine;4-butyl-5-(5-ethenyl-3-prop-1-en-2-yl-4,5-dihydro-1H-pyrazol-4-yl)-2-(5-methyl-1H-pyrazol-4-yl)-1,2-dihydropyridine;4-butyl-5-[5-[(E)-2-fluoroethenyl]-3-methyl-4,5-dihydro-1H-pyrazol-4-yl]-2-(5-methyl-1H-pyrazol-4-yl)pyridine;2-[4-[4-butyl-6-(5-methyl-1H-pyrazol-4-yl)-3-pyridinyl]-5-ethenylpyrazol-1-yl]ethanol;1-ethyl-7-(5-methyl-1H-pyrazol-4-yl)-6,7,8,9,10,11-hexahydro-2H-pyrazolo[4,3-a]phenanthridine;4-fluoro-1-methyl-7-(5-methyl-1H-pyrazol-4-yl)-6,7,8,9,10,11-hexahydro-2H-pyrazolo[4,3-a]phenanthridine is C=CC1NN=C(C(=C)C)C1C1=CNC(c2cn[nH]c2C)C=C1CCCC.C=CC1NN=C(C2CC2)C1C1=CNC(c2cn[nH]c2C)C=C1CCCC.C=Cc1c(-c2cnc(-c3cn[nH]c3C)cc2CCCC)cnn1CCO.CCCCc1cc(-c2cn[nH]c2C)ncc1C1C(C)=NNC1/C=C/F.CCc1[nH]nc2ccc3c(c12)C1=C(CCCC1)C(c1cn[nH]c1C)N3.Cc1[nH]ncc1C1Nc2cc(F)c3n[nH]c(C)c3c2C2=C1CCCC2.
What is the InChIKey of 4-butyl-5-(3-cyclopropyl-5-ethenyl-4,5-dihydro-1H-pyrazol-4-yl)-2-(5-methyl-1H-pyrazol-4-yl)-1,2-dihydropyridine;4-butyl-5-(5-ethenyl-3-prop-1-en-2-yl-4,5-dihydro-1H-pyrazol-4-yl)-2-(5-methyl-1H-pyrazol-4-yl)-1,2-dihydropyridine;4-butyl-5-[5-[(E)-2-fluoroethenyl]-3-methyl-4,5-dihydro-1H-pyrazol-4-yl]-2-(5-methyl-1H-pyrazol-4-yl)pyridine;2-[4-[4-butyl-6-(5-methyl-1H-pyrazol-4-yl)-3-pyridinyl]-5-ethenylpyrazol-1-yl]ethanol;1-ethyl-7-(5-methyl-1H-pyrazol-4-yl)-6,7,8,9,10,11-hexahydro-2H-pyrazolo[4,3-a]phenanthridine;4-fluoro-1-methyl-7-(5-methyl-1H-pyrazol-4-yl)-6,7,8,9,10,11-hexahydro-2H-pyrazolo[4,3-a]phenanthridine?
The InChIKey is ICMCODASIWWPIT-MPZKFBPQSA-N. The full InChI is InChI=1S/2C21H29N5.C20H25N5O.C20H23N5.C19H20FN5.C19H24FN5/c1-4-6-7-15-10-19(16-12-23-24-13(16)3)22-11-17(15)20-18(5-2)25-26-21(20)14-8-9-14;1-6-8-9-15-10-19(16-12-23-24-14(16)5)22-11-17(15)20-18(7-2)25-26-21(20)13(3)4;1-4-6-7-15-10-19(16-12-22-24-14(16)3)21-11-17(15)18-13-23-25(8-9-26)20(18)5-2;1-3-15-19-17(25-24-15)9-8-16-18(19)12-6-4-5-7-13(12)20(22-16)14-10-21-23-11(14)2;1-9-13(8-21-23-9)18-12-6-4-3-5-11(12)17-15(22-18)7-14(20)19-16(17)10(2)24-25-19;1-4-5-6-14-9-18(15-11-22-23-12(15)2)21-10-16(14)19-13(3)24-25-17(19)7-8-20/h5,10-12,14,18-20,22,25H,2,4,6-9H2,1,3H3,(H,23,24);7,10-12,18-20,22,25H,2-3,6,8-9H2,1,4-5H3,(H,23,24);5,10-13,26H,2,4,6-9H2,1,3H3,(H,22,24);8-10,20,22H,3-7H2,1-2H3,(H,21,23)(H,24,25);7-8,18,22H,3-6H2,1-2H3,(H,21,23)(H,24,25);7-11,17,19,25H,4-6H2,1-3H3,(H,22,23)/b;;;;;8-7+.
What are the key properties of 4-butyl-5-(3-cyclopropyl-5-ethenyl-4,5-dihydro-1H-pyrazol-4-yl)-2-(5-methyl-1H-pyrazol-4-yl)-1,2-dihydropyridine;4-butyl-5-(5-ethenyl-3-prop-1-en-2-yl-4,5-dihydro-1H-pyrazol-4-yl)-2-(5-methyl-1H-pyrazol-4-yl)-1,2-dihydropyridine;4-butyl-5-[5-[(E)-2-fluoroethenyl]-3-methyl-4,5-dihydro-1H-pyrazol-4-yl]-2-(5-methyl-1H-pyrazol-4-yl)pyridine;2-[4-[4-butyl-6-(5-methyl-1H-pyrazol-4-yl)-3-pyridinyl]-5-ethenylpyrazol-1-yl]ethanol;1-ethyl-7-(5-methyl-1H-pyrazol-4-yl)-6,7,8,9,10,11-hexahydro-2H-pyrazolo[4,3-a]phenanthridine;4-fluoro-1-methyl-7-(5-methyl-1H-pyrazol-4-yl)-6,7,8,9,10,11-hexahydro-2H-pyrazolo[4,3-a]phenanthridine?
4-butyl-5-(3-cyclopropyl-5-ethenyl-4,5-dihydro-1H-pyrazol-4-yl)-2-(5-methyl-1H-pyrazol-4-yl)-1,2-dihydropyridine;4-butyl-5-(5-ethenyl-3-prop-1-en-2-yl-4,5-dihydro-1H-pyrazol-4-yl)-2-(5-methyl-1H-pyrazol-4-yl)-1,2-dihydropyridine;4-butyl-5-[5-[(E)-2-fluoroethenyl]-3-methyl-4,5-dihydro-1H-pyrazol-4-yl]-2-(5-methyl-1H-pyrazol-4-yl)pyridine;2-[4-[4-butyl-6-(5-methyl-1H-pyrazol-4-yl)-3-pyridinyl]-5-ethenylpyrazol-1-yl]ethanol;1-ethyl-7-(5-methyl-1H-pyrazol-4-yl)-6,7,8,9,10,11-hexahydro-2H-pyrazolo[4,3-a]phenanthridine;4-fluoro-1-methyl-7-(5-methyl-1H-pyrazol-4-yl)-6,7,8,9,10,11-hexahydro-2H-pyrazolo[4,3-a]phenanthridine has a molecular weight of 2066.72 g/mol, XLogP of 24.82, 31 rotatable bonds, 16 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-5-(3-cyclopropyl-5-ethenyl-4,5-dihydro-1H-pyrazol-4-yl)-2-(5-methyl-1H-pyrazol-4-yl)-1,2-dihydropyridine;4-butyl-5-(5-ethenyl-3-prop-1-en-2-yl-4,5-dihydro-1H-pyrazol-4-yl)-2-(5-methyl-1H-pyrazol-4-yl)-1,2-dihydropyridine;4-butyl-5-[5-[(E)-2-fluoroethenyl]-3-methyl-4,5-dihydro-1H-pyrazol-4-yl]-2-(5-methyl-1H-pyrazol-4-yl)pyridine;2-[4-[4-butyl-6-(5-methyl-1H-pyrazol-4-yl)-3-pyridinyl]-5-ethenylpyrazol-1-yl]ethanol;1-ethyl-7-(5-methyl-1H-pyrazol-4-yl)-6,7,8,9,10,11-hexahydro-2H-pyrazolo[4,3-a]phenanthridine;4-fluoro-1-methyl-7-(5-methyl-1H-pyrazol-4-yl)-6,7,8,9,10,11-hexahydro-2H-pyrazolo[4,3-a]phenanthridine is sourced from PubChem (CID 158658700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).