benzyl N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;1-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-methylurea;(1-methylpiperidin-4-yl) N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;oxan-4-yl N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;pyrimidin-5-ylmethyl N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate

C109H87Cl5N44O10 — CID 162075741

About benzyl N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;1-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-methylurea;(1-methylpiperidin-4-yl) N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;oxan-4-yl N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;pyrimidin-5-ylmethyl N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate

benzyl N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;1-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-methylurea;(1-methylpiperidin-4-yl) N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;oxan-4-yl N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;pyrimidin-5-ylmethyl N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate (PubChem CID 162075741) has the molecular formula C109H87Cl5N44O10 and a molecular weight of 2350.46 g/mol. Its IUPAC name is benzyl N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;1-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-methylurea;(1-methylpiperidin-4-yl) N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;oxan-4-yl N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;pyrimidin-5-ylmethyl N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate.

Molecular Properties

• Compound Name: benzyl N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;1-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-methylurea;(1-methylpiperidin-4-yl) N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;oxan-4-yl N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;pyrimidin-5-ylmethyl N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate
• PubChem CID: 162075741
• Molecular Formula: C109H87Cl5N44O10
• Molecular Weight: 2350.46 g/mol
• Exact Mass: 2346.61
• IUPAC Name: benzyl N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;1-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-methylurea;(1-methylpiperidin-4-yl) N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;oxan-4-yl N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;pyrimidin-5-ylmethyl N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate
• SMILES: CN1CCC(OC(=O)Nc2nc(-c3ccn(C)n3)c(-c3cc(Cl)c4[nH]ncc4c3)nc2C#N)CC1.CNC(=O)Nc1nc(-c2ccn(C)n2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1C#N.Cn1ccc(-c2nc(NC(=O)OC3CCOCC3)c(C#N)nc2-c2cc(Cl)c3[nH]ncc3c2)n1.Cn1ccc(-c2nc(NC(=O)OCc3ccccc3)c(C#N)nc2-c2cc(Cl)c3[nH]ncc3c2)n1.Cn1ccc(-c2nc(NC(=O)OCc3cncnc3)c(C#N)nc2-c2cc(Cl)c3[nH]ncc3c2)n1
• InChI: InChI=1S/C24H17ClN8O2.C23H22ClN9O2.C22H15ClN10O2.C22H19ClN8O3.C18H14ClN9O/c1-33-8-7-18(32-33)22-21(15-9-16-12-27-31-20(16)17(25)10-15)28-19(11-26)23(29-22)30-24(34)35-13-14-5-3-2-4-6-14;1-32-6-3-15(4-7-32)35-23(34)29-22-18(11-25)27-20(21(28-22)17-5-8-33(2)31-17)13-9-14-12-26-30-19(14)16(24)10-13;1-33-3-2-16(32-33)20-19(13-4-14-9-27-31-18(14)15(23)5-13)28-17(6-24)21(29-20)30-22(34)35-10-12-7-25-11-26-8-12;1-31-5-2-16(30-31)20-19(12-8-13-11-25-29-18(13)15(23)9-12)26-17(10-24)21(27-20)28-22(32)34-14-3-6-33-7-4-14;1-21-18(29)25-17-13(7-20)23-15(16(24-17)12-3-4-28(2)27-12)9-5-10-8-22-26-14(10)11(19)6-9/h2-10,12H,13H2,1H3,(H,27,31)(H,29,30,34);5,8-10,12,15H,3-4,6-7H2,1-2H3,(H,26,30)(H,28,29,34);2-5,7-9,11H,10H2,1H3,(H,27,31)(H,29,30,34);2,5,8-9,11,14H,3-4,6-7H2,1H3,(H,25,29)(H,27,28,32);3-6,8H,1-2H3,(H,22,26)(H2,21,24,25,29)
• InChIKey: ZBRJXSWXGFQNTN-UHFFFAOYSA-N
• XLogP: 18.14
• TPSA: 713.05 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 43
• Rotatable Bonds: 21
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2350.46
LogP ≤ 5	18.14
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	43

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of benzyl N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;1-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-methylurea;(1-methylpiperidin-4-yl) N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;oxan-4-yl N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;pyrimidin-5-ylmethyl N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate?

The IUPAC name of benzyl N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;1-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-methylurea;(1-methylpiperidin-4-yl) N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;oxan-4-yl N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;pyrimidin-5-ylmethyl N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate (CID 162075741) is benzyl N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;1-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-methylurea;(1-methylpiperidin-4-yl) N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;oxan-4-yl N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;pyrimidin-5-ylmethyl N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate.

What is the SMILES notation for benzyl N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;1-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-methylurea;(1-methylpiperidin-4-yl) N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;oxan-4-yl N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;pyrimidin-5-ylmethyl N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate?

The canonical SMILES for benzyl N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;1-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-methylurea;(1-methylpiperidin-4-yl) N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;oxan-4-yl N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;pyrimidin-5-ylmethyl N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate is CN1CCC(OC(=O)Nc2nc(-c3ccn(C)n3)c(-c3cc(Cl)c4[nH]ncc4c3)nc2C#N)CC1.CNC(=O)Nc1nc(-c2ccn(C)n2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1C#N.Cn1ccc(-c2nc(NC(=O)OC3CCOCC3)c(C#N)nc2-c2cc(Cl)c3[nH]ncc3c2)n1.Cn1ccc(-c2nc(NC(=O)OCc3ccccc3)c(C#N)nc2-c2cc(Cl)c3[nH]ncc3c2)n1.Cn1ccc(-c2nc(NC(=O)OCc3cncnc3)c(C#N)nc2-c2cc(Cl)c3[nH]ncc3c2)n1.

What is the InChIKey of benzyl N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;1-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-methylurea;(1-methylpiperidin-4-yl) N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;oxan-4-yl N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;pyrimidin-5-ylmethyl N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate?

The InChIKey is ZBRJXSWXGFQNTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClN8O2.C23H22ClN9O2.C22H15ClN10O2.C22H19ClN8O3.C18H14ClN9O/c1-33-8-7-18(32-33)22-21(15-9-16-12-27-31-20(16)17(25)10-15)28-19(11-26)23(29-22)30-24(34)35-13-14-5-3-2-4-6-14;1-32-6-3-15(4-7-32)35-23(34)29-22-18(11-25)27-20(21(28-22)17-5-8-33(2)31-17)13-9-14-12-26-30-19(14)16(24)10-13;1-33-3-2-16(32-33)20-19(13-4-14-9-27-31-18(14)15(23)5-13)28-17(6-24)21(29-20)30-22(34)35-10-12-7-25-11-26-8-12;1-31-5-2-16(30-31)20-19(12-8-13-11-25-29-18(13)15(23)9-12)26-17(10-24)21(27-20)28-22(32)34-14-3-6-33-7-4-14;1-21-18(29)25-17-13(7-20)23-15(16(24-17)12-3-4-28(2)27-12)9-5-10-8-22-26-14(10)11(19)6-9/h2-10,12H,13H2,1H3,(H,27,31)(H,29,30,34);5,8-10,12,15H,3-4,6-7H2,1-2H3,(H,26,30)(H,28,29,34);2-5,7-9,11H,10H2,1H3,(H,27,31)(H,29,30,34);2,5,8-9,11,14H,3-4,6-7H2,1H3,(H,25,29)(H,27,28,32);3-6,8H,1-2H3,(H,22,26)(H2,21,24,25,29).

What are the key properties of benzyl N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;1-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-methylurea;(1-methylpiperidin-4-yl) N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;oxan-4-yl N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;pyrimidin-5-ylmethyl N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate?

benzyl N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;1-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-methylurea;(1-methylpiperidin-4-yl) N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;oxan-4-yl N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;pyrimidin-5-ylmethyl N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate has a molecular weight of 2350.46 g/mol, XLogP of 18.14, 21 rotatable bonds, 11 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;1-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-methylurea;(1-methylpiperidin-4-yl) N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;oxan-4-yl N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;pyrimidin-5-ylmethyl N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate is sourced from PubChem (CID 162075741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).