N'-ethyl-N'-methyl-N-[7-(5-methyl-1H-pyrazol-4-yl)-6,7-dihydro-3H-pyrazolo[4,5-f]quinolin-9-yl]ethane-1,2-diamine;2-[ethyl-[7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinolin-9-yl]amino]ethanol;4-methoxy-9-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8-propyl-6,7-dihydro-3H-pyrazolo[4,3-f]quinoline;8-(5-methyl-1H-pyrazol-4-yl)-1H-pyrazolo[4,5-h]quinoline;7-(5-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[3,4-f]quinoline;7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine-5-carbonitrile;hydrofluoride

C104H108FN33O2 — CID 158185798

IUPACN'-ethyl-N'-methyl-N-[7-(5-methyl-1H-pyrazol-4-yl)-6,7-dihydro-3H-pyrazolo[4,5-f]quinolin-9-yl]ethane-1,2-diamine;2-[ethyl-[7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinolin-9-yl]amino]ethanol;4-methoxy-9-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8-propyl-6,7-dihydro-3H-pyrazolo[4,3-f]quinoline;8-(5-methyl-1H-pyrazol-4-yl)-1H-pyrazolo[4,5-h]quinoline;7-(5-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[3,4-f]quinoline;7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine-5-carbonitrile;hydrofluoride
SMILESCCCC1=C(C)c2c(cc(OC)c3[nH]ncc23)NC1c1cn[nH]c1C.CCN(C)CCNC1=CC(c2cn[nH]c2C)Nc2ccc3[nH]ncc3c21.CCN(CCO)c1cc(-c2cn[nH]c2C)nc2ccc3[nH]ncc3c12.Cc1[nH]ncc1-c1ccc2c3c(ccc2n1)C=NC3.Cc1[nH]ncc1-c1ccc2ccc3cn[nH]c3c2n1.Cc1[nH]ncc1-c1nc2c(C#N)cc3[nH]ncc3c2c2c1CCCC2.F
InChIInChI=1S/C19H25N7.C19H16N6.C19H23N5O.C18H20N6O.C15H12N4.C14H11N5.FH/c1-4-26(3)8-7-20-18-9-17(13-10-21-24-12(13)2)23-16-6-5-15-14(19(16)18)11-22-25-15;1-10-14(8-21-24-10)19-13-5-3-2-4-12(13)17-15-9-22-25-16(15)6-11(7-20)18(17)23-19;1-5-6-12-10(2)17-14-9-21-24-19(14)16(25-4)7-15(17)22-18(12)13-8-20-23-11(13)3;1-3-24(6-7-25)17-8-16(12-9-19-22-11(12)2)21-15-5-4-14-13(18(15)17)10-20-23-14;1-9-12(8-17-19-9)15-5-3-11-13-7-16-6-10(13)2-4-14(11)18-15;1-8-11(7-16-18-8)12-5-4-9-2-3-10-6-15-19-14(10)13(9)17-12;/h5-6,9-11,17,20,23H,4,7-8H2,1-3H3,(H,21,24)(H,22,25);6,8-9H,2-5H2,1H3,(H,21,24)(H,22,25);7-9,18,22H,5-6H2,1-4H3,(H,20,23)(H,21,24);4-5,8-10,25H,3,6-7H2,1-2H3,(H,19,22)(H,20,23);2-6,8H,7H2,1H3,(H,17,19);2-7H,1H3,(H,15,19)(H,16,18);1H
InChIKeyFZCUBAHRRBVSPV-UHFFFAOYSA-N
MW1871.23 g/mol
LogP19.00
Rot. Bonds18

About N'-ethyl-N'-methyl-N-[7-(5-methyl-1H-pyrazol-4-yl)-6,7-dihydro-3H-pyrazolo[4,5-f]quinolin-9-yl]ethane-1,2-diamine;2-[ethyl-[7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinolin-9-yl]amino]ethanol;4-methoxy-9-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8-propyl-6,7-dihydro-3H-pyrazolo[4,3-f]quinoline;8-(5-methyl-1H-pyrazol-4-yl)-1H-pyrazolo[4,5-h]quinoline;7-(5-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[3,4-f]quinoline;7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine-5-carbonitrile;hydrofluoride

N'-ethyl-N'-methyl-N-[7-(5-methyl-1H-pyrazol-4-yl)-6,7-dihydro-3H-pyrazolo[4,5-f]quinolin-9-yl]ethane-1,2-diamine;2-[ethyl-[7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinolin-9-yl]amino]ethanol;4-methoxy-9-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8-propyl-6,7-dihydro-3H-pyrazolo[4,3-f]quinoline;8-(5-methyl-1H-pyrazol-4-yl)-1H-pyrazolo[4,5-h]quinoline;7-(5-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[3,4-f]quinoline;7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine-5-carbonitrile;hydrofluoride (PubChem CID 158185798) has the molecular formula C104H108FN33O2 and a molecular weight of 1871.23 g/mol. Its IUPAC name is N'-ethyl-N'-methyl-N-[7-(5-methyl-1H-pyrazol-4-yl)-6,7-dihydro-3H-pyrazolo[4,5-f]quinolin-9-yl]ethane-1,2-diamine;2-[ethyl-[7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinolin-9-yl]amino]ethanol;4-methoxy-9-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8-propyl-6,7-dihydro-3H-pyrazolo[4,3-f]quinoline;8-(5-methyl-1H-pyrazol-4-yl)-1H-pyrazolo[4,5-h]quinoline;7-(5-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[3,4-f]quinoline;7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine-5-carbonitrile;hydrofluoride.

Molecular Properties

Compound NameN'-ethyl-N'-methyl-N-[7-(5-methyl-1H-pyrazol-4-yl)-6,7-dihydro-3H-pyrazolo[4,5-f]quinolin-9-yl]ethane-1,2-diamine;2-[ethyl-[7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinolin-9-yl]amino]ethanol;4-methoxy-9-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8-propyl-6,7-dihydro-3H-pyrazolo[4,3-f]quinoline;8-(5-methyl-1H-pyrazol-4-yl)-1H-pyrazolo[4,5-h]quinoline;7-(5-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[3,4-f]quinoline;7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine-5-carbonitrile;hydrofluoride
PubChem CID158185798
Molecular FormulaC104H108FN33O2
Molecular Weight1871.23 g/mol
Exact Mass1869.93
IUPAC NameN'-ethyl-N'-methyl-N-[7-(5-methyl-1H-pyrazol-4-yl)-6,7-dihydro-3H-pyrazolo[4,5-f]quinolin-9-yl]ethane-1,2-diamine;2-[ethyl-[7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinolin-9-yl]amino]ethanol;4-methoxy-9-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8-propyl-6,7-dihydro-3H-pyrazolo[4,3-f]quinoline;8-(5-methyl-1H-pyrazol-4-yl)-1H-pyrazolo[4,5-h]quinoline;7-(5-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[3,4-f]quinoline;7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine-5-carbonitrile;hydrofluoride
SMILESCCCC1=C(C)c2c(cc(OC)c3[nH]ncc23)NC1c1cn[nH]c1C.CCN(C)CCNC1=CC(c2cn[nH]c2C)Nc2ccc3[nH]ncc3c21.CCN(CCO)c1cc(-c2cn[nH]c2C)nc2ccc3[nH]ncc3c12.Cc1[nH]ncc1-c1ccc2c3c(ccc2n1)C=NC3.Cc1[nH]ncc1-c1ccc2ccc3cn[nH]c3c2n1.Cc1[nH]ncc1-c1nc2c(C#N)cc3[nH]ncc3c2c2c1CCCC2.F
InChIInChI=1S/C19H25N7.C19H16N6.C19H23N5O.C18H20N6O.C15H12N4.C14H11N5.FH/c1-4-26(3)8-7-20-18-9-17(13-10-21-24-12(13)2)23-16-6-5-15-14(19(16)18)11-22-25-15;1-10-14(8-21-24-10)19-13-5-3-2-4-12(13)17-15-9-22-25-16(15)6-11(7-20)18(17)23-19;1-5-6-12-10(2)17-14-9-21-24-19(14)16(25-4)7-15(17)22-18(12)13-8-20-23-11(13)3;1-3-24(6-7-25)17-8-16(12-9-19-22-11(12)2)21-15-5-4-14-13(18(15)17)10-20-23-14;1-9-12(8-17-19-9)15-5-3-11-13-7-16-6-10(13)2-4-14(11)18-15;1-8-11(7-16-18-8)12-5-4-9-2-3-10-6-15-19-14(10)13(9)17-12;/h5-6,9-11,17,20,23H,4,7-8H2,1-3H3,(H,21,24)(H,22,25);6,8-9H,2-5H2,1H3,(H,21,24)(H,22,25);7-9,18,22H,5-6H2,1-4H3,(H,20,23)(H,21,24);4-5,8-10,25H,3,6-7H2,1-2H3,(H,19,22)(H,20,23);2-6,8H,7H2,1H3,(H,17,19);2-7H,1H3,(H,15,19)(H,16,18);1H
InChIKeyFZCUBAHRRBVSPV-UHFFFAOYSA-N
XLogP19.00
TPSA475.22 Ų
H-Bond Donors15
H-Bond Acceptors24
Rotatable Bonds18
Heavy Atoms140
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001871.23
LogP ≤ 519.00
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1024

Analyze N'-ethyl-N'-methyl-N-[7-(5-methyl-1H-pyrazol-4-yl)-6,7-dihydro-3H-pyrazolo[4,5-f]quinolin-9-yl]ethane-1,2-diamine;2-[ethyl-[7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinolin-9-yl]amino]ethanol;4-methoxy-9-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8-propyl-6,7-dihydro-3H-pyrazolo[4,3-f]quinoline;8-(5-methyl-1H-pyrazol-4-yl)-1H-pyrazolo[4,5-h]quinoline;7-(5-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[3,4-f]quinoline;7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine-5-carbonitrile;hydrofluoride with MolForge

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Related Compounds

4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(2-fluoro-6-hydroxyphenyl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(3-hydroxynaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-[2-methyl-6-(trifluoromethyl)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile
CID 157869091
5-[2-(4-methylpiperazin-1-yl)ethoxy]-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;4-[2-[[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-5-yl]oxy]ethyl]morpholine;4-[3-[[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-5-yl]oxy]propyl]morpholine
CID 157313320
9-(4-bromophenoxy)-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline;9-(3-methoxy-4,5-dimethylphenyl)-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline;4-[[7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinolin-9-yl]oxy]benzonitrile;2-[4-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]triazol-1-yl]ethanol
CID 157618114
4-methoxy-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;9-(4-methylpiperazin-1-yl)-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline;4-[7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinolin-9-yl]morpholine;8-(5-methyl-1H-pyrazol-4-yl)-1H-pyrazolo[4,5-h]quinoline;7-(5-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[3,4-f]quinoline
CID 158186414
4-(5-methoxy-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl)phenol;4-(3-methyl-8,9,10,11-tetrahydropyrazolo[4,5-a]phenanthridin-7-yl)phenol;7-(1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzenecarboximidamide;4-(6,7,8,9-tetrahydro-1H-pyrazolo[4,5-c]isoquinolin-5-yl)phenol
CID 159880309
8-tert-butyl-4-ethenylisoquinoline;8-tert-butyl-5-ethylisoquinoline;7-tert-butyl-1H-indene;(8-tert-butylisoquinolin-5-yl)methanol;8-tert-butyl-4-methoxyisoquinoline;8-tert-butyl-5-methoxyisoquinoline;3-tert-butyl-2-methyl-1H-indole;8-tert-butyl-5-methylisoquinoline;3-tert-butyl-2-methyl-6-(1-methylpyrazol-4-yl)-1H-indole;8-tert-butyl-3-(1-methylpyrazol-4-yl)isoquinoline;3-tert-butyl-1-propan-2-ylindole;2-(2,2-dimethylpropyl)-5-(1-methylpyrazol-4-yl)aniline
CID 160089879
8-tert-butyl-4-ethenylisoquinoline;8-tert-butyl-4-ethylisoquinoline;8-tert-butyl-5-ethylisoquinoline;7-tert-butyl-1H-indene;(8-tert-butylisoquinolin-4-yl)methanol;(8-tert-butylisoquinolin-5-yl)methanol;8-tert-butyl-4-methoxyisoquinoline;8-tert-butyl-5-methoxyisoquinoline;3-tert-butyl-2-methyl-1H-indole;8-tert-butyl-5-methylisoquinoline;3-tert-butyl-2-methyl-6-(1-methylpyrazol-4-yl)-1H-indole;8-tert-butyl-6-methyl-3-(1-methylpyrazol-4-yl)isoquinoline;3-tert-butyl-5-(1-methylpyrazol-4-yl)-1H-indole;8-tert-butyl-3-(1-methylpyrazol-4-yl)isoquinoline;3-tert-butyl-1-propan-2-ylindole
CID 160154721
8-tert-butyl-4-ethenylisoquinoline;8-tert-butyl-5-ethylisoquinoline;7-tert-butyl-1H-indene;(8-tert-butylisoquinolin-4-yl)methanol;(8-tert-butylisoquinolin-5-yl)methanol;8-tert-butyl-4-methoxyisoquinoline;8-tert-butyl-5-methoxyisoquinoline;3-tert-butyl-2-methyl-1H-indole;8-tert-butyl-5-methylisoquinoline;8-tert-butyl-6-methyl-3-(1-methylpyrazol-4-yl)isoquinoline;3-tert-butyl-5-(1-methylpyrazol-4-yl)-1H-indole;3-tert-butyl-1-propan-2-ylindole
CID 161266209
2-[[3-amino-5,6-bis(2,3-dihydro-1H-indol-5-ylimino)-2-pyridinyl]-(2-hydroxyethyl)amino]ethanol;2-[[3-amino-5,6-bis[(6-methoxy-2,3-dimethyl-1H-indol-5-yl)imino]-2-pyridinyl]-methylamino]ethanol;[1-[3-amino-5,6-bis(pyrazolo[1,5-a]pyridin-3-ylimino)-2-pyridinyl]pyrrolidin-3-yl]-trimethylazanium;2-[3-(dimethylamino)pyrrolidin-1-yl]-5,6-bis(pyrazolo[1,5-a]pyridin-3-ylimino)pyridin-3-amine
CID 161619982
5-(5-ethenyl-1H-pyrazol-4-yl)-4-(3-methoxy-4,5-dimethylphenyl)-2-(5-methyl-1H-pyrazol-4-yl)pyridine;N'-ethyl-N'-methyl-N-[7-(5-methyl-1H-pyrazol-4-yl)-3a,6,7,9b-tetrahydro-3H-pyrazolo[4,3-f]quinolin-9-yl]ethane-1,2-diamine;2-[ethyl-[7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinolin-9-yl]amino]ethanol;8-(5-methyl-1H-pyrazol-4-yl)-1H-pyrazolo[4,5-h]quinoline
CID 163869153
8-tert-butyl-4-ethenylisoquinoline;8-tert-butyl-5-ethylisoquinoline;7-tert-butyl-1H-indene;(8-tert-butylisoquinolin-4-yl)methanol;(8-tert-butylisoquinolin-5-yl)methanol;8-tert-butyl-4-methoxyisoquinoline;8-tert-butyl-5-methoxyisoquinoline;3-tert-butyl-2-methyl-1H-indole;8-tert-butyl-5-methylisoquinoline;3-tert-butyl-2-methyl-6-(1-methylpyrazol-4-yl)-1H-indole;8-tert-butyl-6-methyl-3-(1-methylpyrazol-4-yl)isoquinoline;8-tert-butyl-3-(1-methylpyrazol-4-yl)isoquinoline;3-tert-butyl-1-propan-2-ylindole
CID 163907639
5-ethoxy-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;2-methoxy-N-methyl-N-[2-[[9-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8-propyl-3a,6,7,9b-tetrahydro-3H-pyrazolo[4,3-f]quinolin-5-yl]oxy]ethyl]ethanamine;1-methylpiperazine;7-(5-methyl-1H-pyrazol-4-yl)-3a,6,7,8,9,10,11,11c-octahydro-3H-pyrazolo[4,3-a]phenanthridin-5-ol;4-propylmorpholine
CID 163969058

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-methyl-N-[7-(5-methyl-1H-pyrazol-4-yl)-6,7-dihydro-3H-pyrazolo[4,5-f]quinolin-9-yl]ethane-1,2-diamine;2-[ethyl-[7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinolin-9-yl]amino]ethanol;4-methoxy-9-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8-propyl-6,7-dihydro-3H-pyrazolo[4,3-f]quinoline;8-(5-methyl-1H-pyrazol-4-yl)-1H-pyrazolo[4,5-h]quinoline;7-(5-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[3,4-f]quinoline;7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine-5-carbonitrile;hydrofluoride?
The IUPAC name of N'-ethyl-N'-methyl-N-[7-(5-methyl-1H-pyrazol-4-yl)-6,7-dihydro-3H-pyrazolo[4,5-f]quinolin-9-yl]ethane-1,2-diamine;2-[ethyl-[7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinolin-9-yl]amino]ethanol;4-methoxy-9-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8-propyl-6,7-dihydro-3H-pyrazolo[4,3-f]quinoline;8-(5-methyl-1H-pyrazol-4-yl)-1H-pyrazolo[4,5-h]quinoline;7-(5-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[3,4-f]quinoline;7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine-5-carbonitrile;hydrofluoride (CID 158185798) is N'-ethyl-N'-methyl-N-[7-(5-methyl-1H-pyrazol-4-yl)-6,7-dihydro-3H-pyrazolo[4,5-f]quinolin-9-yl]ethane-1,2-diamine;2-[ethyl-[7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinolin-9-yl]amino]ethanol;4-methoxy-9-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8-propyl-6,7-dihydro-3H-pyrazolo[4,3-f]quinoline;8-(5-methyl-1H-pyrazol-4-yl)-1H-pyrazolo[4,5-h]quinoline;7-(5-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[3,4-f]quinoline;7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine-5-carbonitrile;hydrofluoride.
What is the SMILES notation for N'-ethyl-N'-methyl-N-[7-(5-methyl-1H-pyrazol-4-yl)-6,7-dihydro-3H-pyrazolo[4,5-f]quinolin-9-yl]ethane-1,2-diamine;2-[ethyl-[7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinolin-9-yl]amino]ethanol;4-methoxy-9-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8-propyl-6,7-dihydro-3H-pyrazolo[4,3-f]quinoline;8-(5-methyl-1H-pyrazol-4-yl)-1H-pyrazolo[4,5-h]quinoline;7-(5-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[3,4-f]quinoline;7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine-5-carbonitrile;hydrofluoride?
The canonical SMILES for N'-ethyl-N'-methyl-N-[7-(5-methyl-1H-pyrazol-4-yl)-6,7-dihydro-3H-pyrazolo[4,5-f]quinolin-9-yl]ethane-1,2-diamine;2-[ethyl-[7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinolin-9-yl]amino]ethanol;4-methoxy-9-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8-propyl-6,7-dihydro-3H-pyrazolo[4,3-f]quinoline;8-(5-methyl-1H-pyrazol-4-yl)-1H-pyrazolo[4,5-h]quinoline;7-(5-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[3,4-f]quinoline;7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine-5-carbonitrile;hydrofluoride is CCCC1=C(C)c2c(cc(OC)c3[nH]ncc23)NC1c1cn[nH]c1C.CCN(C)CCNC1=CC(c2cn[nH]c2C)Nc2ccc3[nH]ncc3c21.CCN(CCO)c1cc(-c2cn[nH]c2C)nc2ccc3[nH]ncc3c12.Cc1[nH]ncc1-c1ccc2c3c(ccc2n1)C=NC3.Cc1[nH]ncc1-c1ccc2ccc3cn[nH]c3c2n1.Cc1[nH]ncc1-c1nc2c(C#N)cc3[nH]ncc3c2c2c1CCCC2.F.
What is the InChIKey of N'-ethyl-N'-methyl-N-[7-(5-methyl-1H-pyrazol-4-yl)-6,7-dihydro-3H-pyrazolo[4,5-f]quinolin-9-yl]ethane-1,2-diamine;2-[ethyl-[7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinolin-9-yl]amino]ethanol;4-methoxy-9-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8-propyl-6,7-dihydro-3H-pyrazolo[4,3-f]quinoline;8-(5-methyl-1H-pyrazol-4-yl)-1H-pyrazolo[4,5-h]quinoline;7-(5-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[3,4-f]quinoline;7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine-5-carbonitrile;hydrofluoride?
The InChIKey is FZCUBAHRRBVSPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N7.C19H16N6.C19H23N5O.C18H20N6O.C15H12N4.C14H11N5.FH/c1-4-26(3)8-7-20-18-9-17(13-10-21-24-12(13)2)23-16-6-5-15-14(19(16)18)11-22-25-15;1-10-14(8-21-24-10)19-13-5-3-2-4-12(13)17-15-9-22-25-16(15)6-11(7-20)18(17)23-19;1-5-6-12-10(2)17-14-9-21-24-19(14)16(25-4)7-15(17)22-18(12)13-8-20-23-11(13)3;1-3-24(6-7-25)17-8-16(12-9-19-22-11(12)2)21-15-5-4-14-13(18(15)17)10-20-23-14;1-9-12(8-17-19-9)15-5-3-11-13-7-16-6-10(13)2-4-14(11)18-15;1-8-11(7-16-18-8)12-5-4-9-2-3-10-6-15-19-14(10)13(9)17-12;/h5-6,9-11,17,20,23H,4,7-8H2,1-3H3,(H,21,24)(H,22,25);6,8-9H,2-5H2,1H3,(H,21,24)(H,22,25);7-9,18,22H,5-6H2,1-4H3,(H,20,23)(H,21,24);4-5,8-10,25H,3,6-7H2,1-2H3,(H,19,22)(H,20,23);2-6,8H,7H2,1H3,(H,17,19);2-7H,1H3,(H,15,19)(H,16,18);1H.
What are the key properties of N'-ethyl-N'-methyl-N-[7-(5-methyl-1H-pyrazol-4-yl)-6,7-dihydro-3H-pyrazolo[4,5-f]quinolin-9-yl]ethane-1,2-diamine;2-[ethyl-[7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinolin-9-yl]amino]ethanol;4-methoxy-9-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8-propyl-6,7-dihydro-3H-pyrazolo[4,3-f]quinoline;8-(5-methyl-1H-pyrazol-4-yl)-1H-pyrazolo[4,5-h]quinoline;7-(5-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[3,4-f]quinoline;7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine-5-carbonitrile;hydrofluoride?
N'-ethyl-N'-methyl-N-[7-(5-methyl-1H-pyrazol-4-yl)-6,7-dihydro-3H-pyrazolo[4,5-f]quinolin-9-yl]ethane-1,2-diamine;2-[ethyl-[7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinolin-9-yl]amino]ethanol;4-methoxy-9-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8-propyl-6,7-dihydro-3H-pyrazolo[4,3-f]quinoline;8-(5-methyl-1H-pyrazol-4-yl)-1H-pyrazolo[4,5-h]quinoline;7-(5-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[3,4-f]quinoline;7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine-5-carbonitrile;hydrofluoride has a molecular weight of 1871.23 g/mol, XLogP of 19.00, 18 rotatable bonds, 15 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-methyl-N-[7-(5-methyl-1H-pyrazol-4-yl)-6,7-dihydro-3H-pyrazolo[4,5-f]quinolin-9-yl]ethane-1,2-diamine;2-[ethyl-[7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinolin-9-yl]amino]ethanol;4-methoxy-9-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8-propyl-6,7-dihydro-3H-pyrazolo[4,3-f]quinoline;8-(5-methyl-1H-pyrazol-4-yl)-1H-pyrazolo[4,5-h]quinoline;7-(5-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[3,4-f]quinoline;7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine-5-carbonitrile;hydrofluoride is sourced from PubChem (CID 158185798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).