3-amino-N-tert-butyl-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-N-cyclobutyl-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-N-cyclohexyl-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-N-cyclopentyl-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-N-cyclopropyl-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide

C112H106Cl5N35O5 — CID 158481432

IUPAC3-amino-N-tert-butyl-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-N-cyclobutyl-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-N-cyclohexyl-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-N-cyclopentyl-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-N-cyclopropyl-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide
SMILESCn1ccc(-c2nc(N)c(C(=O)NC(C)(C)C)nc2-c2cc(Cl)c3ncccc3c2)n1.Cn1ccc(-c2nc(N)c(C(=O)NC3CC3)nc2-c2cc(Cl)c3ncccc3c2)n1.Cn1ccc(-c2nc(N)c(C(=O)NC3CCC3)nc2-c2cc(Cl)c3ncccc3c2)n1.Cn1ccc(-c2nc(N)c(C(=O)NC3CCCC3)nc2-c2cc(Cl)c3ncccc3c2)n1.Cn1ccc(-c2nc(N)c(C(=O)NC3CCCCC3)nc2-c2cc(Cl)c3ncccc3c2)n1
InChIInChI=1S/C24H24ClN7O.C23H22ClN7O.C22H20ClN7O.C22H22ClN7O.C21H18ClN7O/c1-32-11-9-18(31-32)21-20(15-12-14-6-5-10-27-19(14)17(25)13-15)29-22(23(26)30-21)24(33)28-16-7-3-2-4-8-16;1-31-10-8-17(30-31)20-19(14-11-13-5-4-9-26-18(13)16(24)12-14)28-21(22(25)29-20)23(32)27-15-6-2-3-7-15;1-30-9-7-16(29-30)19-18(13-10-12-4-3-8-25-17(12)15(23)11-13)27-20(21(24)28-19)22(31)26-14-5-2-6-14;1-22(2,3)28-21(31)19-20(24)27-18(15-7-9-30(4)29-15)17(26-19)13-10-12-6-5-8-25-16(12)14(23)11-13;1-29-8-6-15(28-29)18-17(12-9-11-3-2-7-24-16(11)14(22)10-12)26-19(20(23)27-18)21(30)25-13-4-5-13/h5-6,9-13,16H,2-4,7-8H2,1H3,(H2,26,30)(H,28,33);4-5,8-12,15H,2-3,6-7H2,1H3,(H2,25,29)(H,27,32);3-4,7-11,14H,2,5-6H2,1H3,(H2,24,28)(H,26,31);5-11H,1-4H3,(H2,24,27)(H,28,31);2-3,6-10,13H,4-5H2,1H3,(H2,23,27)(H,25,30)
InChIKeyHHOHRIUICHTALC-UHFFFAOYSA-N
MW2199.58 g/mol
LogP19.08
Rot. Bonds19

About 3-amino-N-tert-butyl-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-N-cyclobutyl-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-N-cyclohexyl-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-N-cyclopentyl-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-N-cyclopropyl-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide

3-amino-N-tert-butyl-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-N-cyclobutyl-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-N-cyclohexyl-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-N-cyclopentyl-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-N-cyclopropyl-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide (PubChem CID 158481432) has the molecular formula C112H106Cl5N35O5 and a molecular weight of 2199.58 g/mol. Its IUPAC name is 3-amino-N-tert-butyl-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-N-cyclobutyl-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-N-cyclohexyl-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-N-cyclopentyl-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-N-cyclopropyl-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-tert-butyl-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-N-cyclobutyl-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-N-cyclohexyl-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-N-cyclopentyl-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-N-cyclopropyl-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide
PubChem CID158481432
Molecular FormulaC112H106Cl5N35O5
Molecular Weight2199.58 g/mol
Exact Mass2195.76
IUPAC Name3-amino-N-tert-butyl-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-N-cyclobutyl-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-N-cyclohexyl-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-N-cyclopentyl-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-N-cyclopropyl-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide
SMILESCn1ccc(-c2nc(N)c(C(=O)NC(C)(C)C)nc2-c2cc(Cl)c3ncccc3c2)n1.Cn1ccc(-c2nc(N)c(C(=O)NC3CC3)nc2-c2cc(Cl)c3ncccc3c2)n1.Cn1ccc(-c2nc(N)c(C(=O)NC3CCC3)nc2-c2cc(Cl)c3ncccc3c2)n1.Cn1ccc(-c2nc(N)c(C(=O)NC3CCCC3)nc2-c2cc(Cl)c3ncccc3c2)n1.Cn1ccc(-c2nc(N)c(C(=O)NC3CCCCC3)nc2-c2cc(Cl)c3ncccc3c2)n1
InChIInChI=1S/C24H24ClN7O.C23H22ClN7O.C22H20ClN7O.C22H22ClN7O.C21H18ClN7O/c1-32-11-9-18(31-32)21-20(15-12-14-6-5-10-27-19(14)17(25)13-15)29-22(23(26)30-21)24(33)28-16-7-3-2-4-8-16;1-31-10-8-17(30-31)20-19(14-11-13-5-4-9-26-18(13)16(24)12-14)28-21(22(25)29-20)23(32)27-15-6-2-3-7-15;1-30-9-7-16(29-30)19-18(13-10-12-4-3-8-25-17(12)15(23)11-13)27-20(21(24)28-19)22(31)26-14-5-2-6-14;1-22(2,3)28-21(31)19-20(24)27-18(15-7-9-30(4)29-15)17(26-19)13-10-12-6-5-8-25-16(12)14(23)11-13;1-29-8-6-15(28-29)18-17(12-9-11-3-2-7-24-16(11)14(22)10-12)26-19(20(23)27-18)21(30)25-13-4-5-13/h5-6,9-13,16H,2-4,7-8H2,1H3,(H2,26,30)(H,28,33);4-5,8-12,15H,2-3,6-7H2,1H3,(H2,25,29)(H,27,32);3-4,7-11,14H,2,5-6H2,1H3,(H2,24,28)(H,26,31);5-11H,1-4H3,(H2,24,27)(H,28,31);2-3,6-10,13H,4-5H2,1H3,(H2,23,27)(H,25,30)
InChIKeyHHOHRIUICHTALC-UHFFFAOYSA-N
XLogP19.08
TPSA558.05 Ų
H-Bond Donors10
H-Bond Acceptors35
Rotatable Bonds19
Heavy Atoms157
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002199.58
LogP ≤ 519.08
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1035

Analyze 3-amino-N-tert-butyl-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-N-cyclobutyl-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-N-cyclohexyl-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-N-cyclopentyl-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-N-cyclopropyl-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-tert-butyl-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-N-cyclobutyl-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-N-cyclohexyl-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-N-cyclopentyl-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-N-cyclopropyl-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-tert-butyl-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-N-cyclobutyl-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-N-cyclohexyl-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-N-cyclopentyl-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-N-cyclopropyl-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide (CID 158481432) is 3-amino-N-tert-butyl-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-N-cyclobutyl-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-N-cyclohexyl-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-N-cyclopentyl-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-N-cyclopropyl-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-tert-butyl-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-N-cyclobutyl-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-N-cyclohexyl-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-N-cyclopentyl-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-N-cyclopropyl-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-tert-butyl-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-N-cyclobutyl-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-N-cyclohexyl-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-N-cyclopentyl-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-N-cyclopropyl-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide is Cn1ccc(-c2nc(N)c(C(=O)NC(C)(C)C)nc2-c2cc(Cl)c3ncccc3c2)n1.Cn1ccc(-c2nc(N)c(C(=O)NC3CC3)nc2-c2cc(Cl)c3ncccc3c2)n1.Cn1ccc(-c2nc(N)c(C(=O)NC3CCC3)nc2-c2cc(Cl)c3ncccc3c2)n1.Cn1ccc(-c2nc(N)c(C(=O)NC3CCCC3)nc2-c2cc(Cl)c3ncccc3c2)n1.Cn1ccc(-c2nc(N)c(C(=O)NC3CCCCC3)nc2-c2cc(Cl)c3ncccc3c2)n1.
What is the InChIKey of 3-amino-N-tert-butyl-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-N-cyclobutyl-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-N-cyclohexyl-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-N-cyclopentyl-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-N-cyclopropyl-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide?
The InChIKey is HHOHRIUICHTALC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN7O.C23H22ClN7O.C22H20ClN7O.C22H22ClN7O.C21H18ClN7O/c1-32-11-9-18(31-32)21-20(15-12-14-6-5-10-27-19(14)17(25)13-15)29-22(23(26)30-21)24(33)28-16-7-3-2-4-8-16;1-31-10-8-17(30-31)20-19(14-11-13-5-4-9-26-18(13)16(24)12-14)28-21(22(25)29-20)23(32)27-15-6-2-3-7-15;1-30-9-7-16(29-30)19-18(13-10-12-4-3-8-25-17(12)15(23)11-13)27-20(21(24)28-19)22(31)26-14-5-2-6-14;1-22(2,3)28-21(31)19-20(24)27-18(15-7-9-30(4)29-15)17(26-19)13-10-12-6-5-8-25-16(12)14(23)11-13;1-29-8-6-15(28-29)18-17(12-9-11-3-2-7-24-16(11)14(22)10-12)26-19(20(23)27-18)21(30)25-13-4-5-13/h5-6,9-13,16H,2-4,7-8H2,1H3,(H2,26,30)(H,28,33);4-5,8-12,15H,2-3,6-7H2,1H3,(H2,25,29)(H,27,32);3-4,7-11,14H,2,5-6H2,1H3,(H2,24,28)(H,26,31);5-11H,1-4H3,(H2,24,27)(H,28,31);2-3,6-10,13H,4-5H2,1H3,(H2,23,27)(H,25,30).
What are the key properties of 3-amino-N-tert-butyl-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-N-cyclobutyl-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-N-cyclohexyl-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-N-cyclopentyl-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-N-cyclopropyl-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide?
3-amino-N-tert-butyl-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-N-cyclobutyl-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-N-cyclohexyl-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-N-cyclopentyl-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-N-cyclopropyl-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide has a molecular weight of 2199.58 g/mol, XLogP of 19.08, 19 rotatable bonds, 10 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-tert-butyl-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-N-cyclobutyl-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-N-cyclohexyl-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-N-cyclopentyl-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-N-cyclopropyl-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 158481432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).