tert-butyl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;cyclopropyl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;ethyl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;propan-2-yl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate

C88H70Cl4N28O8 — CID 158950898

IUPACtert-butyl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;cyclopropyl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;ethyl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;propan-2-yl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate
SMILESCC(C)OC(=O)Nc1nc(-c2ccn(C)n2)c(-c2cc(Cl)c3ncccc3c2)nc1C#N.CCOC(=O)Nc1nc(-c2ccn(C)n2)c(-c2cc(Cl)c3ncccc3c2)nc1C#N.Cn1ccc(-c2nc(NC(=O)OC(C)(C)C)c(C#N)nc2-c2cc(Cl)c3ncccc3c2)n1.Cn1ccc(-c2nc(NC(=O)OC3CC3)c(C#N)nc2-c2cc(Cl)c3ncccc3c2)n1
InChIInChI=1S/C23H20ClN7O2.C22H16ClN7O2.C22H18ClN7O2.C21H16ClN7O2/c1-23(2,3)33-22(32)29-21-17(12-25)27-19(20(28-21)16-7-9-31(4)30-16)14-10-13-6-5-8-26-18(13)15(24)11-14;1-30-8-6-16(29-30)20-19(13-9-12-3-2-7-25-18(12)15(23)10-13)26-17(11-24)21(27-20)28-22(31)32-14-4-5-14;1-12(2)32-22(31)28-21-17(11-24)26-19(20(27-21)16-6-8-30(3)29-16)14-9-13-5-4-7-25-18(13)15(23)10-14;1-3-31-21(30)27-20-16(11-23)25-18(19(26-20)15-6-8-29(2)28-15)13-9-12-5-4-7-24-17(12)14(22)10-13/h5-11H,1-4H3,(H,28,29,32);2-3,6-10,14H,4-5H2,1H3,(H,27,28,31);4-10,12H,1-3H3,(H,27,28,31);4-10H,3H2,1-2H3,(H,26,27,30)
InChIKeyJLKKHHHWIFXCLY-UHFFFAOYSA-N
MW1789.53 g/mol
LogP18.05
Rot. Bonds15

About tert-butyl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;cyclopropyl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;ethyl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;propan-2-yl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate

tert-butyl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;cyclopropyl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;ethyl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;propan-2-yl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate (PubChem CID 158950898) has the molecular formula C88H70Cl4N28O8 and a molecular weight of 1789.53 g/mol. Its IUPAC name is tert-butyl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;cyclopropyl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;ethyl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;propan-2-yl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;cyclopropyl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;ethyl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;propan-2-yl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate
PubChem CID158950898
Molecular FormulaC88H70Cl4N28O8
Molecular Weight1789.53 g/mol
Exact Mass1786.47
IUPAC Nametert-butyl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;cyclopropyl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;ethyl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;propan-2-yl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate
SMILESCC(C)OC(=O)Nc1nc(-c2ccn(C)n2)c(-c2cc(Cl)c3ncccc3c2)nc1C#N.CCOC(=O)Nc1nc(-c2ccn(C)n2)c(-c2cc(Cl)c3ncccc3c2)nc1C#N.Cn1ccc(-c2nc(NC(=O)OC(C)(C)C)c(C#N)nc2-c2cc(Cl)c3ncccc3c2)n1.Cn1ccc(-c2nc(NC(=O)OC3CC3)c(C#N)nc2-c2cc(Cl)c3ncccc3c2)n1
InChIInChI=1S/C23H20ClN7O2.C22H16ClN7O2.C22H18ClN7O2.C21H16ClN7O2/c1-23(2,3)33-22(32)29-21-17(12-25)27-19(20(28-21)16-7-9-31(4)30-16)14-10-13-6-5-8-26-18(13)15(24)11-14;1-30-8-6-16(29-30)20-19(13-9-12-3-2-7-25-18(12)15(23)10-13)26-17(11-24)21(27-20)28-22(31)32-14-4-5-14;1-12(2)32-22(31)28-21-17(11-24)26-19(20(27-21)16-6-8-30(3)29-16)14-9-13-5-4-7-25-18(13)15(23)10-14;1-3-31-21(30)27-20-16(11-23)25-18(19(26-20)15-6-8-29(2)28-15)13-9-12-5-4-7-24-17(12)14(22)10-13/h5-11H,1-4H3,(H,28,29,32);2-3,6-10,14H,4-5H2,1H3,(H,27,28,31);4-10,12H,1-3H3,(H,27,28,31);4-10H,3H2,1-2H3,(H,26,27,30)
InChIKeyJLKKHHHWIFXCLY-UHFFFAOYSA-N
XLogP18.05
TPSA474.44 Ų
H-Bond Donors4
H-Bond Acceptors32
Rotatable Bonds15
Heavy Atoms128
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001789.53
LogP ≤ 518.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze tert-butyl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;cyclopropyl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;ethyl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;propan-2-yl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate with MolForge

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Related Compounds

(1-methylpiperidin-4-yl)methyl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate
CID 137430374
oxan-4-yl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate
CID 137430375
cyclopentyl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate
CID 137430384
(1-methylpiperidin-4-yl) N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate
CID 137430385
ethyl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate
CID 137431079
propan-2-yl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate
CID 137431081
tert-butyl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate
CID 137431083
cyclopropyl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate
CID 137431088
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
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
[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

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;cyclopropyl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;ethyl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;propan-2-yl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate?
The IUPAC name of tert-butyl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;cyclopropyl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;ethyl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;propan-2-yl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate (CID 158950898) is tert-butyl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;cyclopropyl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;ethyl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;propan-2-yl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;cyclopropyl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;ethyl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;propan-2-yl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;cyclopropyl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;ethyl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;propan-2-yl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate is CC(C)OC(=O)Nc1nc(-c2ccn(C)n2)c(-c2cc(Cl)c3ncccc3c2)nc1C#N.CCOC(=O)Nc1nc(-c2ccn(C)n2)c(-c2cc(Cl)c3ncccc3c2)nc1C#N.Cn1ccc(-c2nc(NC(=O)OC(C)(C)C)c(C#N)nc2-c2cc(Cl)c3ncccc3c2)n1.Cn1ccc(-c2nc(NC(=O)OC3CC3)c(C#N)nc2-c2cc(Cl)c3ncccc3c2)n1.
What is the InChIKey of tert-butyl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;cyclopropyl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;ethyl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;propan-2-yl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate?
The InChIKey is JLKKHHHWIFXCLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN7O2.C22H16ClN7O2.C22H18ClN7O2.C21H16ClN7O2/c1-23(2,3)33-22(32)29-21-17(12-25)27-19(20(28-21)16-7-9-31(4)30-16)14-10-13-6-5-8-26-18(13)15(24)11-14;1-30-8-6-16(29-30)20-19(13-9-12-3-2-7-25-18(12)15(23)10-13)26-17(11-24)21(27-20)28-22(31)32-14-4-5-14;1-12(2)32-22(31)28-21-17(11-24)26-19(20(27-21)16-6-8-30(3)29-16)14-9-13-5-4-7-25-18(13)15(23)10-14;1-3-31-21(30)27-20-16(11-23)25-18(19(26-20)15-6-8-29(2)28-15)13-9-12-5-4-7-24-17(12)14(22)10-13/h5-11H,1-4H3,(H,28,29,32);2-3,6-10,14H,4-5H2,1H3,(H,27,28,31);4-10,12H,1-3H3,(H,27,28,31);4-10H,3H2,1-2H3,(H,26,27,30).
What are the key properties of tert-butyl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;cyclopropyl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;ethyl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;propan-2-yl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate?
tert-butyl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;cyclopropyl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;ethyl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;propan-2-yl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate has a molecular weight of 1789.53 g/mol, XLogP of 18.05, 15 rotatable bonds, 4 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;cyclopropyl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;ethyl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;propan-2-yl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate is sourced from PubChem (CID 158950898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).