cyclopropylmethyl 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylate;2-(diethylamino)ethyl 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylate;(3-hydroxycyclobutyl)methyl 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylate;(1-methylpyrrol-3-yl) 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylate;pyridin-3-yl 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylate

C115H100Cl5N33O11 — CID 157453849

About cyclopropylmethyl 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylate;2-(diethylamino)ethyl 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylate;(3-hydroxycyclobutyl)methyl 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylate;(1-methylpyrrol-3-yl) 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylate;pyridin-3-yl 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylate

cyclopropylmethyl 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylate;2-(diethylamino)ethyl 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylate;(3-hydroxycyclobutyl)methyl 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylate;(1-methylpyrrol-3-yl) 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylate;pyridin-3-yl 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylate (PubChem CID 157453849) has the molecular formula C115H100Cl5N33O11 and a molecular weight of 2297.55 g/mol. Its IUPAC name is cyclopropylmethyl 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylate;2-(diethylamino)ethyl 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylate;(3-hydroxycyclobutyl)methyl 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylate;(1-methylpyrrol-3-yl) 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylate;pyridin-3-yl 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylate.

Molecular Properties

• Compound Name: cyclopropylmethyl 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylate;2-(diethylamino)ethyl 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylate;(3-hydroxycyclobutyl)methyl 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylate;(1-methylpyrrol-3-yl) 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylate;pyridin-3-yl 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylate
• PubChem CID: 157453849
• Molecular Formula: C115H100Cl5N33O11
• Molecular Weight: 2297.55 g/mol
• Exact Mass: 2293.67
• IUPAC Name: cyclopropylmethyl 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylate;2-(diethylamino)ethyl 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylate;(3-hydroxycyclobutyl)methyl 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylate;(1-methylpyrrol-3-yl) 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylate;pyridin-3-yl 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylate
• SMILES: CCN(CC)CCOC(=O)c1nc(-c2cc(Cl)c3ncccc3c2)c(-c2ccn(C)n2)nc1N.Cn1ccc(-c2nc(N)c(C(=O)OCC3CC(O)C3)nc2-c2cc(Cl)c3ncccc3c2)n1.Cn1ccc(-c2nc(N)c(C(=O)OCC3CC3)nc2-c2cc(Cl)c3ncccc3c2)n1.Cn1ccc(-c2nc(N)c(C(=O)Oc3cccnc3)nc2-c2cc(Cl)c3ncccc3c2)n1.Cn1ccc(OC(=O)c2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccn(C)n3)nc2N)c1
• InChI: InChI=1S/C24H26ClN7O2.C23H18ClN7O2.C23H16ClN7O2.C23H21ClN6O3.C22H19ClN6O2/c1-4-32(5-2)11-12-34-24(33)22-23(26)29-21(18-8-10-31(3)30-18)20(28-22)16-13-15-7-6-9-27-19(15)17(25)14-16;1-30-8-5-15(12-30)33-23(32)21-22(25)28-20(17-6-9-31(2)29-17)19(27-21)14-10-13-4-3-7-26-18(13)16(24)11-14;1-31-9-6-17(30-31)20-19(14-10-13-4-2-8-27-18(13)16(24)11-14)28-21(22(25)29-20)23(32)33-15-5-3-7-26-12-15;1-30-6-4-17(29-30)20-19(14-9-13-3-2-5-26-18(13)16(24)10-14)27-21(22(25)28-20)23(32)33-11-12-7-15(31)8-12;1-29-8-6-16(28-29)19-18(14-9-13-3-2-7-25-17(13)15(23)10-14)26-20(21(24)27-19)22(30)31-11-12-4-5-12/h6-10,13-14H,4-5,11-12H2,1-3H3,(H2,26,29);3-12H,1-2H3,(H2,25,28);2-12H,1H3,(H2,25,29);2-6,9-10,12,15,31H,7-8,11H2,1H3,(H2,25,28);2-3,6-10,12H,4-5,11H2,1H3,(H2,24,27)
• InChIKey: BTCQVMSRQWZXHZ-UHFFFAOYSA-N
• XLogP: 18.80
• TPSA: 585.34 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 44
• Rotatable Bonds: 26
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2297.55
LogP ≤ 5	18.80
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	44

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of cyclopropylmethyl 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylate;2-(diethylamino)ethyl 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylate;(3-hydroxycyclobutyl)methyl 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylate;(1-methylpyrrol-3-yl) 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylate;pyridin-3-yl 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylate?

The IUPAC name of cyclopropylmethyl 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylate;2-(diethylamino)ethyl 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylate;(3-hydroxycyclobutyl)methyl 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylate;(1-methylpyrrol-3-yl) 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylate;pyridin-3-yl 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylate (CID 157453849) is cyclopropylmethyl 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylate;2-(diethylamino)ethyl 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylate;(3-hydroxycyclobutyl)methyl 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylate;(1-methylpyrrol-3-yl) 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylate;pyridin-3-yl 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylate.

What is the SMILES notation for cyclopropylmethyl 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylate;2-(diethylamino)ethyl 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylate;(3-hydroxycyclobutyl)methyl 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylate;(1-methylpyrrol-3-yl) 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylate;pyridin-3-yl 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylate?

The canonical SMILES for cyclopropylmethyl 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylate;2-(diethylamino)ethyl 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylate;(3-hydroxycyclobutyl)methyl 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylate;(1-methylpyrrol-3-yl) 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylate;pyridin-3-yl 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylate is CCN(CC)CCOC(=O)c1nc(-c2cc(Cl)c3ncccc3c2)c(-c2ccn(C)n2)nc1N.Cn1ccc(-c2nc(N)c(C(=O)OCC3CC(O)C3)nc2-c2cc(Cl)c3ncccc3c2)n1.Cn1ccc(-c2nc(N)c(C(=O)OCC3CC3)nc2-c2cc(Cl)c3ncccc3c2)n1.Cn1ccc(-c2nc(N)c(C(=O)Oc3cccnc3)nc2-c2cc(Cl)c3ncccc3c2)n1.Cn1ccc(OC(=O)c2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccn(C)n3)nc2N)c1.

What is the InChIKey of cyclopropylmethyl 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylate;2-(diethylamino)ethyl 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylate;(3-hydroxycyclobutyl)methyl 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylate;(1-methylpyrrol-3-yl) 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylate;pyridin-3-yl 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylate?

The InChIKey is BTCQVMSRQWZXHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN7O2.C23H18ClN7O2.C23H16ClN7O2.C23H21ClN6O3.C22H19ClN6O2/c1-4-32(5-2)11-12-34-24(33)22-23(26)29-21(18-8-10-31(3)30-18)20(28-22)16-13-15-7-6-9-27-19(15)17(25)14-16;1-30-8-5-15(12-30)33-23(32)21-22(25)28-20(17-6-9-31(2)29-17)19(27-21)14-10-13-4-3-7-26-18(13)16(24)11-14;1-31-9-6-17(30-31)20-19(14-10-13-4-2-8-27-18(13)16(24)11-14)28-21(22(25)29-20)23(32)33-15-5-3-7-26-12-15;1-30-6-4-17(29-30)20-19(14-9-13-3-2-5-26-18(13)16(24)10-14)27-21(22(25)28-20)23(32)33-11-12-7-15(31)8-12;1-29-8-6-16(28-29)19-18(14-9-13-3-2-7-25-17(13)15(23)10-14)26-20(21(24)27-19)22(30)31-11-12-4-5-12/h6-10,13-14H,4-5,11-12H2,1-3H3,(H2,26,29);3-12H,1-2H3,(H2,25,28);2-12H,1H3,(H2,25,29);2-6,9-10,12,15,31H,7-8,11H2,1H3,(H2,25,28);2-3,6-10,12H,4-5,11H2,1H3,(H2,24,27).

What are the key properties of cyclopropylmethyl 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylate;2-(diethylamino)ethyl 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylate;(3-hydroxycyclobutyl)methyl 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylate;(1-methylpyrrol-3-yl) 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylate;pyridin-3-yl 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylate?

cyclopropylmethyl 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylate;2-(diethylamino)ethyl 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylate;(3-hydroxycyclobutyl)methyl 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylate;(1-methylpyrrol-3-yl) 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylate;pyridin-3-yl 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylate has a molecular weight of 2297.55 g/mol, XLogP of 18.80, 26 rotatable bonds, 6 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for cyclopropylmethyl 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylate;2-(diethylamino)ethyl 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylate;(3-hydroxycyclobutyl)methyl 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylate;(1-methylpyrrol-3-yl) 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylate;pyridin-3-yl 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylate is sourced from PubChem (CID 157453849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).