benzyl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]cyclopropanesulfonamide;N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]ethanesulfonamide;1-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-(1-methylpiperidin-4-yl)urea;1-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-[(2-methylpyrimidin-5-yl)methyl]urea

C117H93Cl5N40O8S2 — CID 159839353

IUPACbenzyl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]cyclopropanesulfonamide;N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]ethanesulfonamide;1-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-(1-methylpiperidin-4-yl)urea;1-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-[(2-methylpyrimidin-5-yl)methyl]urea
SMILESCCS(=O)(=O)Nc1nc(-c2ccn(C)n2)c(-c2cc(Cl)c3ncccc3c2)nc1C#N.CN1CCC(NC(=O)Nc2nc(-c3ccn(C)n3)c(-c3cc(Cl)c4ncccc4c3)nc2C#N)CC1.Cc1ncc(CNC(=O)Nc2nc(-c3ccn(C)n3)c(-c3cc(Cl)c4ncccc4c3)nc2C#N)cn1.Cn1ccc(-c2nc(NC(=O)OCc3ccccc3)c(C#N)nc2-c2cc(Cl)c3ncccc3c2)n1.Cn1ccc(-c2nc(NS(=O)(=O)C3CC3)c(C#N)nc2-c2cc(Cl)c3ncccc3c2)n1
InChIInChI=1S/C26H18ClN7O2.C25H19ClN10O.C25H24ClN9O.C21H16ClN7O2S.C20H16ClN7O2S/c1-34-11-9-20(33-34)24-23(18-12-17-8-5-10-29-22(17)19(27)13-18)30-21(14-28)25(31-24)32-26(35)36-15-16-6-3-2-4-7-16;1-14-29-11-15(12-30-14)13-31-25(37)34-24-20(10-27)32-22(23(33-24)19-5-7-36(2)35-19)17-8-16-4-3-6-28-21(16)18(26)9-17;1-34-9-5-17(6-10-34)29-25(36)32-24-20(14-27)30-22(23(31-24)19-7-11-35(2)33-19)16-12-15-4-3-8-28-21(15)18(26)13-16;1-29-8-6-16(27-29)20-19(13-9-12-3-2-7-24-18(12)15(22)10-13)25-17(11-23)21(26-20)28-32(30,31)14-4-5-14;1-3-31(29,30)27-20-16(11-22)24-18(19(25-20)15-6-8-28(2)26-15)13-9-12-5-4-7-23-17(12)14(21)10-13/h2-13H,15H2,1H3,(H,31,32,35);3-9,11-12H,13H2,1-2H3,(H2,31,33,34,37);3-4,7-8,11-13,17H,5-6,9-10H2,1-2H3,(H2,29,31,32,36);2-3,6-10,14H,4-5H2,1H3,(H,26,28);4-10H,3H2,1-2H3,(H,25,27)
InChIKeyNOMGJOWBUMRTHE-UHFFFAOYSA-N
MW2428.70 g/mol
LogP20.14
Rot. Bonds24

About benzyl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]cyclopropanesulfonamide;N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]ethanesulfonamide;1-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-(1-methylpiperidin-4-yl)urea;1-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-[(2-methylpyrimidin-5-yl)methyl]urea

benzyl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]cyclopropanesulfonamide;N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]ethanesulfonamide;1-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-(1-methylpiperidin-4-yl)urea;1-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-[(2-methylpyrimidin-5-yl)methyl]urea (PubChem CID 159839353) has the molecular formula C117H93Cl5N40O8S2 and a molecular weight of 2428.70 g/mol. Its IUPAC name is benzyl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]cyclopropanesulfonamide;N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]ethanesulfonamide;1-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-(1-methylpiperidin-4-yl)urea;1-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-[(2-methylpyrimidin-5-yl)methyl]urea.

Molecular Properties

Compound Namebenzyl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]cyclopropanesulfonamide;N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]ethanesulfonamide;1-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-(1-methylpiperidin-4-yl)urea;1-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-[(2-methylpyrimidin-5-yl)methyl]urea
PubChem CID159839353
Molecular FormulaC117H93Cl5N40O8S2
Molecular Weight2428.70 g/mol
Exact Mass2424.60
IUPAC Namebenzyl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]cyclopropanesulfonamide;N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]ethanesulfonamide;1-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-(1-methylpiperidin-4-yl)urea;1-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-[(2-methylpyrimidin-5-yl)methyl]urea
SMILESCCS(=O)(=O)Nc1nc(-c2ccn(C)n2)c(-c2cc(Cl)c3ncccc3c2)nc1C#N.CN1CCC(NC(=O)Nc2nc(-c3ccn(C)n3)c(-c3cc(Cl)c4ncccc4c3)nc2C#N)CC1.Cc1ncc(CNC(=O)Nc2nc(-c3ccn(C)n3)c(-c3cc(Cl)c4ncccc4c3)nc2C#N)cn1.Cn1ccc(-c2nc(NC(=O)OCc3ccccc3)c(C#N)nc2-c2cc(Cl)c3ncccc3c2)n1.Cn1ccc(-c2nc(NS(=O)(=O)C3CC3)c(C#N)nc2-c2cc(Cl)c3ncccc3c2)n1
InChIInChI=1S/C26H18ClN7O2.C25H19ClN10O.C25H24ClN9O.C21H16ClN7O2S.C20H16ClN7O2S/c1-34-11-9-20(33-34)24-23(18-12-17-8-5-10-29-22(17)19(27)13-18)30-21(14-28)25(31-24)32-26(35)36-15-16-6-3-2-4-7-16;1-14-29-11-15(12-30-14)13-31-25(37)34-24-20(10-27)32-22(23(33-24)19-5-7-36(2)35-19)17-8-16-4-3-6-28-21(16)18(26)9-17;1-34-9-5-17(6-10-34)29-25(36)32-24-20(14-27)30-22(23(31-24)19-7-11-35(2)33-19)16-12-15-4-3-8-28-21(15)18(26)13-16;1-29-8-6-16(27-29)20-19(13-9-12-3-2-7-24-18(12)15(22)10-13)25-17(11-23)21(26-20)28-32(30,31)14-4-5-14;1-3-31(29,30)27-20-16(11-22)24-18(19(25-20)15-6-8-28(2)26-15)13-9-12-5-4-7-23-17(12)14(21)10-13/h2-13H,15H2,1H3,(H,31,32,35);3-9,11-12H,13H2,1-2H3,(H2,31,33,34,37);3-4,7-8,11-13,17H,5-6,9-10H2,1-2H3,(H2,29,31,32,36);2-3,6-10,14H,4-5H2,1H3,(H,26,28);4-10H,3H2,1-2H3,(H,25,27)
InChIKeyNOMGJOWBUMRTHE-UHFFFAOYSA-N
XLogP20.14
TPSA643.35 Ų
H-Bond Donors7
H-Bond Acceptors41
Rotatable Bonds24
Heavy Atoms172
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002428.70
LogP ≤ 520.14
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1041

Analyze benzyl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]cyclopropanesulfonamide;N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]ethanesulfonamide;1-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-(1-methylpiperidin-4-yl)urea;1-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-[(2-methylpyrimidin-5-yl)methyl]urea with MolForge

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Related Compounds

benzyl N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]carbamate;(1-methylpiperidin-4-yl) N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]carbamate;(1-methylpyrrolidin-3-yl) N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]carbamate;oxan-4-ylmethyl N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]carbamate;pyrimidin-5-ylmethyl N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]carbamate
CID 157698818
1-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-ethylurea;1-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-methylurea;1-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-propan-2-ylurea;[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]urea;pyrimidin-5-ylmethyl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate
CID 158248542
benzyl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;cyclopentyl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;(1-methylpiperidin-4-yl) N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;(1-methylpiperidin-4-yl)methyl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;oxan-4-yl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate
CID 158913765
3-[[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]amino]-N-(4-cyanophenyl)propanamide;3-[[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]amino]-N-methylpropanamide;N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]-2-pyridin-3-ylethanesulfonamide;methyl 4-[[2-[[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]amino]acetyl]amino]benzoate;methyl 4-[3-[[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]amino]propanoylamino]benzoate
CID 160269683
N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]cyclopropanesulfonamide;N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]ethanesulfonamide;N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]methanesulfonamide;1-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-[(2-methylpyrimidin-5-yl)methyl]urea;1-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-(pyridin-3-ylmethyl)urea
CID 160292897
1-benzyl-3-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]urea;N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]cyclopropanesulfonamide;N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]ethanesulfonamide;1-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]-3-[(2-methylpyrimidin-5-yl)methyl]urea;1-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]-3-(pyridin-3-ylmethyl)urea
CID 160762912
N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]-2-cyclopentylethanesulfonamide;N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]methanesulfonamide;N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]-1-(1-methylpyrrol-3-yl)methanesulfonamide;N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]-2-(oxan-4-yl)ethanesulfonamide;N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]-1-pyrimidin-5-ylmethanesulfonamide
CID 161366086
benzyl N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;1-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-methylurea;(1-methylpiperidin-4-yl) N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;oxan-4-yl N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;pyrimidin-5-ylmethyl N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate
CID 162075741

Frequently Asked Questions

What is the IUPAC name of benzyl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]cyclopropanesulfonamide;N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]ethanesulfonamide;1-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-(1-methylpiperidin-4-yl)urea;1-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-[(2-methylpyrimidin-5-yl)methyl]urea?
The IUPAC name of benzyl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]cyclopropanesulfonamide;N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]ethanesulfonamide;1-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-(1-methylpiperidin-4-yl)urea;1-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-[(2-methylpyrimidin-5-yl)methyl]urea (CID 159839353) is benzyl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]cyclopropanesulfonamide;N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]ethanesulfonamide;1-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-(1-methylpiperidin-4-yl)urea;1-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-[(2-methylpyrimidin-5-yl)methyl]urea.
What is the SMILES notation for benzyl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]cyclopropanesulfonamide;N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]ethanesulfonamide;1-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-(1-methylpiperidin-4-yl)urea;1-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-[(2-methylpyrimidin-5-yl)methyl]urea?
The canonical SMILES for benzyl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]cyclopropanesulfonamide;N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]ethanesulfonamide;1-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-(1-methylpiperidin-4-yl)urea;1-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-[(2-methylpyrimidin-5-yl)methyl]urea is CCS(=O)(=O)Nc1nc(-c2ccn(C)n2)c(-c2cc(Cl)c3ncccc3c2)nc1C#N.CN1CCC(NC(=O)Nc2nc(-c3ccn(C)n3)c(-c3cc(Cl)c4ncccc4c3)nc2C#N)CC1.Cc1ncc(CNC(=O)Nc2nc(-c3ccn(C)n3)c(-c3cc(Cl)c4ncccc4c3)nc2C#N)cn1.Cn1ccc(-c2nc(NC(=O)OCc3ccccc3)c(C#N)nc2-c2cc(Cl)c3ncccc3c2)n1.Cn1ccc(-c2nc(NS(=O)(=O)C3CC3)c(C#N)nc2-c2cc(Cl)c3ncccc3c2)n1.
What is the InChIKey of benzyl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]cyclopropanesulfonamide;N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]ethanesulfonamide;1-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-(1-methylpiperidin-4-yl)urea;1-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-[(2-methylpyrimidin-5-yl)methyl]urea?
The InChIKey is NOMGJOWBUMRTHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18ClN7O2.C25H19ClN10O.C25H24ClN9O.C21H16ClN7O2S.C20H16ClN7O2S/c1-34-11-9-20(33-34)24-23(18-12-17-8-5-10-29-22(17)19(27)13-18)30-21(14-28)25(31-24)32-26(35)36-15-16-6-3-2-4-7-16;1-14-29-11-15(12-30-14)13-31-25(37)34-24-20(10-27)32-22(23(33-24)19-5-7-36(2)35-19)17-8-16-4-3-6-28-21(16)18(26)9-17;1-34-9-5-17(6-10-34)29-25(36)32-24-20(14-27)30-22(23(31-24)19-7-11-35(2)33-19)16-12-15-4-3-8-28-21(15)18(26)13-16;1-29-8-6-16(27-29)20-19(13-9-12-3-2-7-24-18(12)15(22)10-13)25-17(11-23)21(26-20)28-32(30,31)14-4-5-14;1-3-31(29,30)27-20-16(11-22)24-18(19(25-20)15-6-8-28(2)26-15)13-9-12-5-4-7-23-17(12)14(21)10-13/h2-13H,15H2,1H3,(H,31,32,35);3-9,11-12H,13H2,1-2H3,(H2,31,33,34,37);3-4,7-8,11-13,17H,5-6,9-10H2,1-2H3,(H2,29,31,32,36);2-3,6-10,14H,4-5H2,1H3,(H,26,28);4-10H,3H2,1-2H3,(H,25,27).
What are the key properties of benzyl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]cyclopropanesulfonamide;N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]ethanesulfonamide;1-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-(1-methylpiperidin-4-yl)urea;1-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-[(2-methylpyrimidin-5-yl)methyl]urea?
benzyl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]cyclopropanesulfonamide;N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]ethanesulfonamide;1-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-(1-methylpiperidin-4-yl)urea;1-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-[(2-methylpyrimidin-5-yl)methyl]urea has a molecular weight of 2428.70 g/mol, XLogP of 20.14, 24 rotatable bonds, 7 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]cyclopropanesulfonamide;N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]ethanesulfonamide;1-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-(1-methylpiperidin-4-yl)urea;1-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-[(2-methylpyrimidin-5-yl)methyl]urea is sourced from PubChem (CID 159839353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).