cyclopropylmethyl 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carboxylate;2-(diethylamino)ethyl 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carboxylate;(4-fluorophenyl) 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carboxylate;(1-methylpyrrol-3-yl) 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carboxylate;pyridin-3-yl 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carboxylate

C116H90Cl5FN28O10 — CID 158366985

About cyclopropylmethyl 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carboxylate;2-(diethylamino)ethyl 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carboxylate;(4-fluorophenyl) 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carboxylate;(1-methylpyrrol-3-yl) 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carboxylate;pyridin-3-yl 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carboxylate

cyclopropylmethyl 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carboxylate;2-(diethylamino)ethyl 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carboxylate;(4-fluorophenyl) 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carboxylate;(1-methylpyrrol-3-yl) 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carboxylate;pyridin-3-yl 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carboxylate (PubChem CID 158366985) has the molecular formula C116H90Cl5FN28O10 and a molecular weight of 2232.44 g/mol. Its IUPAC name is cyclopropylmethyl 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carboxylate;2-(diethylamino)ethyl 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carboxylate;(4-fluorophenyl) 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carboxylate;(1-methylpyrrol-3-yl) 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carboxylate;pyridin-3-yl 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carboxylate.

Molecular Properties

• Compound Name: cyclopropylmethyl 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carboxylate;2-(diethylamino)ethyl 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carboxylate;(4-fluorophenyl) 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carboxylate;(1-methylpyrrol-3-yl) 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carboxylate;pyridin-3-yl 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carboxylate
• PubChem CID: 158366985
• Molecular Formula: C116H90Cl5FN28O10
• Molecular Weight: 2232.44 g/mol
• Exact Mass: 2228.58
• IUPAC Name: cyclopropylmethyl 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carboxylate;2-(diethylamino)ethyl 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carboxylate;(4-fluorophenyl) 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carboxylate;(1-methylpyrrol-3-yl) 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carboxylate;pyridin-3-yl 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carboxylate
• SMILES: CCN(CC)CCOC(=O)c1nc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2ccccc2)nc1N.Cn1ccc(OC(=O)c2nc(-c3cc(Cl)c4[nH]ncc4c3)c(-c3ccccc3)nc2N)c1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1C(=O)OCC1CC1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1C(=O)Oc1ccc(F)cc1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1C(=O)Oc1cccnc1
• InChI: InChI=1S/C24H15ClFN5O2.C24H25ClN6O2.C23H17ClN6O2.C23H15ClN6O2.C22H18ClN5O2/c25-18-11-14(10-15-12-28-31-19(15)18)21-20(13-4-2-1-3-5-13)30-23(27)22(29-21)24(32)33-17-8-6-16(26)7-9-17;1-3-31(4-2)10-11-33-24(32)22-23(26)29-20(15-8-6-5-7-9-15)21(28-22)16-12-17-14-27-30-19(17)18(25)13-16;1-30-8-7-16(12-30)32-23(31)21-22(25)28-19(13-5-3-2-4-6-13)20(27-21)14-9-15-11-26-29-18(15)17(24)10-14;24-17-10-14(9-15-11-27-30-18(15)17)20-19(13-5-2-1-3-6-13)29-22(25)21(28-20)23(31)32-16-7-4-8-26-12-16;23-16-9-14(8-15-10-25-28-17(15)16)19-18(13-4-2-1-3-5-13)27-21(24)20(26-19)22(29)30-11-12-6-7-12/h1-12H,(H2,27,30)(H,28,31);5-9,12-14H,3-4,10-11H2,1-2H3,(H2,26,29)(H,27,30);2-12H,1H3,(H2,25,28)(H,26,29);1-12H,(H2,25,29)(H,27,30);1-5,8-10,12H,6-7,11H2,(H2,24,27)(H,25,28)
• InChIKey: GUDNBJKFPRWQLF-UHFFFAOYSA-N
• XLogP: 23.21
• TPSA: 554.96 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 33
• Rotatable Bonds: 25
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2232.44
LogP ≤ 5	23.21
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of cyclopropylmethyl 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carboxylate;2-(diethylamino)ethyl 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carboxylate;(4-fluorophenyl) 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carboxylate;(1-methylpyrrol-3-yl) 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carboxylate;pyridin-3-yl 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carboxylate?

The IUPAC name of cyclopropylmethyl 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carboxylate;2-(diethylamino)ethyl 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carboxylate;(4-fluorophenyl) 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carboxylate;(1-methylpyrrol-3-yl) 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carboxylate;pyridin-3-yl 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carboxylate (CID 158366985) is cyclopropylmethyl 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carboxylate;2-(diethylamino)ethyl 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carboxylate;(4-fluorophenyl) 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carboxylate;(1-methylpyrrol-3-yl) 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carboxylate;pyridin-3-yl 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carboxylate.

What is the SMILES notation for cyclopropylmethyl 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carboxylate;2-(diethylamino)ethyl 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carboxylate;(4-fluorophenyl) 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carboxylate;(1-methylpyrrol-3-yl) 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carboxylate;pyridin-3-yl 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carboxylate?

The canonical SMILES for cyclopropylmethyl 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carboxylate;2-(diethylamino)ethyl 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carboxylate;(4-fluorophenyl) 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carboxylate;(1-methylpyrrol-3-yl) 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carboxylate;pyridin-3-yl 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carboxylate is CCN(CC)CCOC(=O)c1nc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2ccccc2)nc1N.Cn1ccc(OC(=O)c2nc(-c3cc(Cl)c4[nH]ncc4c3)c(-c3ccccc3)nc2N)c1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1C(=O)OCC1CC1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1C(=O)Oc1ccc(F)cc1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1C(=O)Oc1cccnc1.

What is the InChIKey of cyclopropylmethyl 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carboxylate;2-(diethylamino)ethyl 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carboxylate;(4-fluorophenyl) 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carboxylate;(1-methylpyrrol-3-yl) 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carboxylate;pyridin-3-yl 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carboxylate?

The InChIKey is GUDNBJKFPRWQLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15ClFN5O2.C24H25ClN6O2.C23H17ClN6O2.C23H15ClN6O2.C22H18ClN5O2/c25-18-11-14(10-15-12-28-31-19(15)18)21-20(13-4-2-1-3-5-13)30-23(27)22(29-21)24(32)33-17-8-6-16(26)7-9-17;1-3-31(4-2)10-11-33-24(32)22-23(26)29-20(15-8-6-5-7-9-15)21(28-22)16-12-17-14-27-30-19(17)18(25)13-16;1-30-8-7-16(12-30)32-23(31)21-22(25)28-19(13-5-3-2-4-6-13)20(27-21)14-9-15-11-26-29-18(15)17(24)10-14;24-17-10-14(9-15-11-27-30-18(15)17)20-19(13-5-2-1-3-6-13)29-22(25)21(28-20)23(31)32-16-7-4-8-26-12-16;23-16-9-14(8-15-10-25-28-17(15)16)19-18(13-4-2-1-3-5-13)27-21(24)20(26-19)22(29)30-11-12-6-7-12/h1-12H,(H2,27,30)(H,28,31);5-9,12-14H,3-4,10-11H2,1-2H3,(H2,26,29)(H,27,30);2-12H,1H3,(H2,25,28)(H,26,29);1-12H,(H2,25,29)(H,27,30);1-5,8-10,12H,6-7,11H2,(H2,24,27)(H,25,28).

What are the key properties of cyclopropylmethyl 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carboxylate;2-(diethylamino)ethyl 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carboxylate;(4-fluorophenyl) 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carboxylate;(1-methylpyrrol-3-yl) 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carboxylate;pyridin-3-yl 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carboxylate?

cyclopropylmethyl 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carboxylate;2-(diethylamino)ethyl 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carboxylate;(4-fluorophenyl) 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carboxylate;(1-methylpyrrol-3-yl) 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carboxylate;pyridin-3-yl 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carboxylate has a molecular weight of 2232.44 g/mol, XLogP of 23.21, 25 rotatable bonds, 10 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for cyclopropylmethyl 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carboxylate;2-(diethylamino)ethyl 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carboxylate;(4-fluorophenyl) 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carboxylate;(1-methylpyrrol-3-yl) 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carboxylate;pyridin-3-yl 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carboxylate is sourced from PubChem (CID 158366985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).