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

C106H80Cl5N41O6 — CID 158248542

IUPAC1-[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
SMILESCC(C)NC(=O)Nc1nc(-c2ccn(C)n2)c(-c2cc(Cl)c3ncccc3c2)nc1C#N.CCNC(=O)Nc1nc(-c2ccn(C)n2)c(-c2cc(Cl)c3ncccc3c2)nc1C#N.CNC(=O)Nc1nc(-c2ccn(C)n2)c(-c2cc(Cl)c3ncccc3c2)nc1C#N.Cn1ccc(-c2nc(NC(=O)OCc3cncnc3)c(C#N)nc2-c2cc(Cl)c3ncccc3c2)n1.Cn1ccc(-c2nc(NC(N)=O)c(C#N)nc2-c2cc(Cl)c3ncccc3c2)n1
InChIInChI=1S/C24H16ClN9O2.C22H19ClN8O.C21H17ClN8O.C20H15ClN8O.C19H13ClN8O/c1-34-6-4-18(33-34)22-21(16-7-15-3-2-5-29-20(15)17(25)8-16)30-19(9-26)23(31-22)32-24(35)36-12-14-10-27-13-28-11-14;1-12(2)26-22(32)29-21-17(11-24)27-19(20(28-21)16-6-8-31(3)30-16)14-9-13-5-4-7-25-18(13)15(23)10-14;1-3-24-21(31)28-20-16(11-23)26-18(19(27-20)15-6-8-30(2)29-15)13-9-12-5-4-7-25-17(12)14(22)10-13;1-23-20(30)27-19-15(10-22)25-17(18(26-19)14-5-7-29(2)28-14)12-8-11-4-3-6-24-16(11)13(21)9-12;1-28-6-4-13(27-28)17-16(24-14(9-21)18(25-17)26-19(22)29)11-7-10-3-2-5-23-15(10)12(20)8-11/h2-8,10-11,13H,12H2,1H3,(H,31,32,35);4-10,12H,1-3H3,(H2,26,28,29,32);4-10H,3H2,1-2H3,(H2,24,27,28,31);3-9H,1-2H3,(H2,23,26,27,30);2-8H,1H3,(H3,22,25,26,29)
InChIKeyGGKUAUBVAPEXMZ-UHFFFAOYSA-N
MW2201.35 g/mol
LogP18.54
Rot. Bonds19

About 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

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 (PubChem CID 158248542) has the molecular formula C106H80Cl5N41O6 and a molecular weight of 2201.35 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[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
PubChem CID158248542
Molecular FormulaC106H80Cl5N41O6
Molecular Weight2201.35 g/mol
Exact Mass2197.57
IUPAC Name1-[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
SMILESCC(C)NC(=O)Nc1nc(-c2ccn(C)n2)c(-c2cc(Cl)c3ncccc3c2)nc1C#N.CCNC(=O)Nc1nc(-c2ccn(C)n2)c(-c2cc(Cl)c3ncccc3c2)nc1C#N.CNC(=O)Nc1nc(-c2ccn(C)n2)c(-c2cc(Cl)c3ncccc3c2)nc1C#N.Cn1ccc(-c2nc(NC(=O)OCc3cncnc3)c(C#N)nc2-c2cc(Cl)c3ncccc3c2)n1.Cn1ccc(-c2nc(NC(N)=O)c(C#N)nc2-c2cc(Cl)c3ncccc3c2)n1
InChIInChI=1S/C24H16ClN9O2.C22H19ClN8O.C21H17ClN8O.C20H15ClN8O.C19H13ClN8O/c1-34-6-4-18(33-34)22-21(16-7-15-3-2-5-29-20(15)17(25)8-16)30-19(9-26)23(31-22)32-24(35)36-12-14-10-27-13-28-11-14;1-12(2)26-22(32)29-21-17(11-24)27-19(20(28-21)16-6-8-31(3)30-16)14-9-13-5-4-7-25-18(13)15(23)10-14;1-3-24-21(31)28-20-16(11-23)26-18(19(27-20)15-6-8-30(2)29-15)13-9-12-5-4-7-25-17(12)14(22)10-13;1-23-20(30)27-19-15(10-22)25-17(18(26-19)14-5-7-29(2)28-14)12-8-11-4-3-6-24-16(11)13(21)9-12;1-28-6-4-13(27-28)17-16(24-14(9-21)18(25-17)26-19(22)29)11-7-10-3-2-5-23-15(10)12(20)8-11/h2-8,10-11,13H,12H2,1H3,(H,31,32,35);4-10,12H,1-3H3,(H2,26,28,29,32);4-10H,3H2,1-2H3,(H2,24,27,28,31);3-9H,1-2H3,(H2,23,26,27,30);2-8H,1H3,(H3,22,25,26,29)
InChIKeyGGKUAUBVAPEXMZ-UHFFFAOYSA-N
XLogP18.54
TPSA644.02 Ų
H-Bond Donors9
H-Bond Acceptors38
Rotatable Bonds19
Heavy Atoms158
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002201.35
LogP ≤ 518.54
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1038

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(8-chloroquinolin-6-yl)-3-N-[(4-methylpiperazin-1-yl)methyl]-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-N-(pyridin-3-ylmethyl)pyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-N-(2-pyrrolidin-1-ylethyl)pyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-N-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethyl]pyrazine-2,3-diamine
CID 160202825
pyrimidin-5-ylmethyl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate
CID 137430403
tert-butyl N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;cyclopentyl N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;cyclopropyl N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;oxan-4-ylmethyl N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;propan-2-yl N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate
CID 157156330
3-(benzylamino)-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]acetamide;6-(8-chloroquinolin-6-yl)-3-[(4-methylphenyl)methylamino]-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-3-(2-phenylethylamino)pyrazine-2-carbonitrile
CID 157383580
1-[2-[[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]amino]ethyl]piperidin-4-ol;3-N-[2-(azetidin-1-yl)ethyl]-5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-3-N-(cyclobutylmethyl)-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-3-N-(cyclohexylmethyl)-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-3-N-(2-cyclopentylethyl)-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine
CID 157504615
6-(8-Chloroquinolin-6-yl)-3-[2-(3-methyl-1,3-oxazinan-6-yl)ethylamino]-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-3-[2-(1-methylpyrrol-3-yl)ethylamino]pyrazine-2-carbonitrile;6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-3-(2-pyridin-4-ylethylamino)pyrazine-2-carbonitrile;6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-3-(2-pyrimidin-4-ylethylamino)pyrazine-2-carbonitrile
CID 157591099
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
[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamic acid;N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]-2-cyclopentylacetamide;N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]cyclopropanecarboxamide;ethyl N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;methyl N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate
CID 157783907
6-(7-chloro-1H-indazol-5-yl)-3-[2-(3-methyl-1,3-oxazinan-6-yl)ethylamino]-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)-3-[2-(1-methylpyrrol-3-yl)ethylamino]pyrazine-2-carbonitrile;6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)-3-(2-pyridin-4-ylethylamino)pyrazine-2-carbonitrile;6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)-3-(2-pyrimidin-4-ylethylamino)pyrazine-2-carbonitrile
CID 157888094
1-[3-Amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-(cyclobutylmethyl)urea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-(cyclohexylmethyl)urea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-(cyclopentylmethyl)urea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-[(1-methylpyrrolidin-3-yl)methyl]urea
CID 158030646
3-(But-2-ynylamino)-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-3-[(1-methylpyrrolidin-3-yl)amino]pyrazine-2-carbonitrile;6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-3-(oxan-4-ylamino)pyrazine-2-carbonitrile;6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-3-(prop-2-enylamino)pyrazine-2-carbonitrile;6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-3-(prop-2-ynylamino)pyrazine-2-carbonitrile
CID 158644291
5-(8-chloroquinolin-6-yl)-3-N-(cyclopropylmethyl)-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-3-N-[2-(diethylamino)ethyl]-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-N-(1-methylpyrrol-3-yl)pyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-N-phenylpyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-N-pyridin-3-ylpyrazine-2,3-diamine
CID 158799270

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)NC(=O)Nc1nc(-c2ccn(C)n2)c(-c2cc(Cl)c3ncccc3c2)nc1C#N.CCNC(=O)Nc1nc(-c2ccn(C)n2)c(-c2cc(Cl)c3ncccc3c2)nc1C#N.CNC(=O)Nc1nc(-c2ccn(C)n2)c(-c2cc(Cl)c3ncccc3c2)nc1C#N.Cn1ccc(-c2nc(NC(=O)OCc3cncnc3)c(C#N)nc2-c2cc(Cl)c3ncccc3c2)n1.Cn1ccc(-c2nc(NC(N)=O)c(C#N)nc2-c2cc(Cl)c3ncccc3c2)n1.
What is the InChIKey of 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?
The InChIKey is GGKUAUBVAPEXMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16ClN9O2.C22H19ClN8O.C21H17ClN8O.C20H15ClN8O.C19H13ClN8O/c1-34-6-4-18(33-34)22-21(16-7-15-3-2-5-29-20(15)17(25)8-16)30-19(9-26)23(31-22)32-24(35)36-12-14-10-27-13-28-11-14;1-12(2)26-22(32)29-21-17(11-24)27-19(20(28-21)16-6-8-31(3)30-16)14-9-13-5-4-7-25-18(13)15(23)10-14;1-3-24-21(31)28-20-16(11-23)26-18(19(27-20)15-6-8-30(2)29-15)13-9-12-5-4-7-25-17(12)14(22)10-13;1-23-20(30)27-19-15(10-22)25-17(18(26-19)14-5-7-29(2)28-14)12-8-11-4-3-6-24-16(11)13(21)9-12;1-28-6-4-13(27-28)17-16(24-14(9-21)18(25-17)26-19(22)29)11-7-10-3-2-5-23-15(10)12(20)8-11/h2-8,10-11,13H,12H2,1H3,(H,31,32,35);4-10,12H,1-3H3,(H2,26,28,29,32);4-10H,3H2,1-2H3,(H2,24,27,28,31);3-9H,1-2H3,(H2,23,26,27,30);2-8H,1H3,(H3,22,25,26,29).
What are the key properties of 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?
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 has a molecular weight of 2201.35 g/mol, XLogP of 18.54, 19 rotatable bonds, 9 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158248542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).