methyl N-[4,6-diamino-2-[5,7-difluoro-1-[(2-fluorophenyl)methyl]indazol-3-yl]pyrimidin-5-yl]carbamate;methyl N-[4,6-diamino-2-[5,7-difluoro-1-[(2-fluorophenyl)methyl]indazol-3-yl]pyrimidin-5-yl]-N-methylcarbamate;methyl N-[4,6-diamino-2-[5,7-difluoro-1-(pyridin-3-ylmethyl)indazol-3-yl]pyrimidin-5-yl]carbamate

C60H50F8N22O6 — CID 157092735

About methyl N-[4,6-diamino-2-[5,7-difluoro-1-[(2-fluorophenyl)methyl]indazol-3-yl]pyrimidin-5-yl]carbamate;methyl N-[4,6-diamino-2-[5,7-difluoro-1-[(2-fluorophenyl)methyl]indazol-3-yl]pyrimidin-5-yl]-N-methylcarbamate;methyl N-[4,6-diamino-2-[5,7-difluoro-1-(pyridin-3-ylmethyl)indazol-3-yl]pyrimidin-5-yl]carbamate

methyl N-[4,6-diamino-2-[5,7-difluoro-1-[(2-fluorophenyl)methyl]indazol-3-yl]pyrimidin-5-yl]carbamate;methyl N-[4,6-diamino-2-[5,7-difluoro-1-[(2-fluorophenyl)methyl]indazol-3-yl]pyrimidin-5-yl]-N-methylcarbamate;methyl N-[4,6-diamino-2-[5,7-difluoro-1-(pyridin-3-ylmethyl)indazol-3-yl]pyrimidin-5-yl]carbamate (PubChem CID 157092735) has the molecular formula C60H50F8N22O6 and a molecular weight of 1327.19 g/mol. Its IUPAC name is methyl N-[4,6-diamino-2-[5,7-difluoro-1-[(2-fluorophenyl)methyl]indazol-3-yl]pyrimidin-5-yl]carbamate;methyl N-[4,6-diamino-2-[5,7-difluoro-1-[(2-fluorophenyl)methyl]indazol-3-yl]pyrimidin-5-yl]-N-methylcarbamate;methyl N-[4,6-diamino-2-[5,7-difluoro-1-(pyridin-3-ylmethyl)indazol-3-yl]pyrimidin-5-yl]carbamate.

Molecular Properties

• Compound Name: methyl N-[4,6-diamino-2-[5,7-difluoro-1-[(2-fluorophenyl)methyl]indazol-3-yl]pyrimidin-5-yl]carbamate;methyl N-[4,6-diamino-2-[5,7-difluoro-1-[(2-fluorophenyl)methyl]indazol-3-yl]pyrimidin-5-yl]-N-methylcarbamate;methyl N-[4,6-diamino-2-[5,7-difluoro-1-(pyridin-3-ylmethyl)indazol-3-yl]pyrimidin-5-yl]carbamate
• PubChem CID: 157092735
• Molecular Formula: C60H50F8N22O6
• Molecular Weight: 1327.19 g/mol
• Exact Mass: 1326.42
• IUPAC Name: methyl N-[4,6-diamino-2-[5,7-difluoro-1-[(2-fluorophenyl)methyl]indazol-3-yl]pyrimidin-5-yl]carbamate;methyl N-[4,6-diamino-2-[5,7-difluoro-1-[(2-fluorophenyl)methyl]indazol-3-yl]pyrimidin-5-yl]-N-methylcarbamate;methyl N-[4,6-diamino-2-[5,7-difluoro-1-(pyridin-3-ylmethyl)indazol-3-yl]pyrimidin-5-yl]carbamate
• SMILES: COC(=O)N(C)c1c(N)nc(-c2nn(Cc3ccccc3F)c3c(F)cc(F)cc23)nc1N.COC(=O)Nc1c(N)nc(-c2nn(Cc3ccccc3F)c3c(F)cc(F)cc23)nc1N.COC(=O)Nc1c(N)nc(-c2nn(Cc3cccnc3)c3c(F)cc(F)cc23)nc1N
• InChI: InChI=1S/C21H18F3N7O2.C20H16F3N7O2.C19H16F2N8O2/c1-30(21(32)33-2)17-18(25)27-20(28-19(17)26)15-12-7-11(22)8-14(24)16(12)31(29-15)9-10-5-3-4-6-13(10)23;1-32-20(31)26-15-17(24)27-19(28-18(15)25)14-11-6-10(21)7-13(23)16(11)30(29-14)8-9-4-2-3-5-12(9)22;1-31-19(30)25-14-16(22)26-18(27-17(14)23)13-11-5-10(20)6-12(21)15(11)29(28-13)8-9-3-2-4-24-7-9/h3-8H,9H2,1-2H3,(H4,25,26,27,28);2-7H,8H2,1H3,(H,26,31)(H4,24,25,27,28);2-7H,8H2,1H3,(H,25,30)(H4,22,23,26,27)
• InChIKey: AEVUMPSSLWZXMZ-UHFFFAOYSA-N
• XLogP: 9.19
• TPSA: 406.01 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 25
• Rotatable Bonds: 12
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1327.19
LogP ≤ 5	9.19
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of methyl N-[4,6-diamino-2-[5,7-difluoro-1-[(2-fluorophenyl)methyl]indazol-3-yl]pyrimidin-5-yl]carbamate;methyl N-[4,6-diamino-2-[5,7-difluoro-1-[(2-fluorophenyl)methyl]indazol-3-yl]pyrimidin-5-yl]-N-methylcarbamate;methyl N-[4,6-diamino-2-[5,7-difluoro-1-(pyridin-3-ylmethyl)indazol-3-yl]pyrimidin-5-yl]carbamate?

The IUPAC name of methyl N-[4,6-diamino-2-[5,7-difluoro-1-[(2-fluorophenyl)methyl]indazol-3-yl]pyrimidin-5-yl]carbamate;methyl N-[4,6-diamino-2-[5,7-difluoro-1-[(2-fluorophenyl)methyl]indazol-3-yl]pyrimidin-5-yl]-N-methylcarbamate;methyl N-[4,6-diamino-2-[5,7-difluoro-1-(pyridin-3-ylmethyl)indazol-3-yl]pyrimidin-5-yl]carbamate (CID 157092735) is methyl N-[4,6-diamino-2-[5,7-difluoro-1-[(2-fluorophenyl)methyl]indazol-3-yl]pyrimidin-5-yl]carbamate;methyl N-[4,6-diamino-2-[5,7-difluoro-1-[(2-fluorophenyl)methyl]indazol-3-yl]pyrimidin-5-yl]-N-methylcarbamate;methyl N-[4,6-diamino-2-[5,7-difluoro-1-(pyridin-3-ylmethyl)indazol-3-yl]pyrimidin-5-yl]carbamate.

What is the SMILES notation for methyl N-[4,6-diamino-2-[5,7-difluoro-1-[(2-fluorophenyl)methyl]indazol-3-yl]pyrimidin-5-yl]carbamate;methyl N-[4,6-diamino-2-[5,7-difluoro-1-[(2-fluorophenyl)methyl]indazol-3-yl]pyrimidin-5-yl]-N-methylcarbamate;methyl N-[4,6-diamino-2-[5,7-difluoro-1-(pyridin-3-ylmethyl)indazol-3-yl]pyrimidin-5-yl]carbamate?

The canonical SMILES for methyl N-[4,6-diamino-2-[5,7-difluoro-1-[(2-fluorophenyl)methyl]indazol-3-yl]pyrimidin-5-yl]carbamate;methyl N-[4,6-diamino-2-[5,7-difluoro-1-[(2-fluorophenyl)methyl]indazol-3-yl]pyrimidin-5-yl]-N-methylcarbamate;methyl N-[4,6-diamino-2-[5,7-difluoro-1-(pyridin-3-ylmethyl)indazol-3-yl]pyrimidin-5-yl]carbamate is COC(=O)N(C)c1c(N)nc(-c2nn(Cc3ccccc3F)c3c(F)cc(F)cc23)nc1N.COC(=O)Nc1c(N)nc(-c2nn(Cc3ccccc3F)c3c(F)cc(F)cc23)nc1N.COC(=O)Nc1c(N)nc(-c2nn(Cc3cccnc3)c3c(F)cc(F)cc23)nc1N.

What is the InChIKey of methyl N-[4,6-diamino-2-[5,7-difluoro-1-[(2-fluorophenyl)methyl]indazol-3-yl]pyrimidin-5-yl]carbamate;methyl N-[4,6-diamino-2-[5,7-difluoro-1-[(2-fluorophenyl)methyl]indazol-3-yl]pyrimidin-5-yl]-N-methylcarbamate;methyl N-[4,6-diamino-2-[5,7-difluoro-1-(pyridin-3-ylmethyl)indazol-3-yl]pyrimidin-5-yl]carbamate?

The InChIKey is AEVUMPSSLWZXMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N7O2.C20H16F3N7O2.C19H16F2N8O2/c1-30(21(32)33-2)17-18(25)27-20(28-19(17)26)15-12-7-11(22)8-14(24)16(12)31(29-15)9-10-5-3-4-6-13(10)23;1-32-20(31)26-15-17(24)27-19(28-18(15)25)14-11-6-10(21)7-13(23)16(11)30(29-14)8-9-4-2-3-5-12(9)22;1-31-19(30)25-14-16(22)26-18(27-17(14)23)13-11-5-10(20)6-12(21)15(11)29(28-13)8-9-3-2-4-24-7-9/h3-8H,9H2,1-2H3,(H4,25,26,27,28);2-7H,8H2,1H3,(H,26,31)(H4,24,25,27,28);2-7H,8H2,1H3,(H,25,30)(H4,22,23,26,27).

What are the key properties of methyl N-[4,6-diamino-2-[5,7-difluoro-1-[(2-fluorophenyl)methyl]indazol-3-yl]pyrimidin-5-yl]carbamate;methyl N-[4,6-diamino-2-[5,7-difluoro-1-[(2-fluorophenyl)methyl]indazol-3-yl]pyrimidin-5-yl]-N-methylcarbamate;methyl N-[4,6-diamino-2-[5,7-difluoro-1-(pyridin-3-ylmethyl)indazol-3-yl]pyrimidin-5-yl]carbamate?

methyl N-[4,6-diamino-2-[5,7-difluoro-1-[(2-fluorophenyl)methyl]indazol-3-yl]pyrimidin-5-yl]carbamate;methyl N-[4,6-diamino-2-[5,7-difluoro-1-[(2-fluorophenyl)methyl]indazol-3-yl]pyrimidin-5-yl]-N-methylcarbamate;methyl N-[4,6-diamino-2-[5,7-difluoro-1-(pyridin-3-ylmethyl)indazol-3-yl]pyrimidin-5-yl]carbamate has a molecular weight of 1327.19 g/mol, XLogP of 9.19, 12 rotatable bonds, 8 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for methyl N-[4,6-diamino-2-[5,7-difluoro-1-[(2-fluorophenyl)methyl]indazol-3-yl]pyrimidin-5-yl]carbamate;methyl N-[4,6-diamino-2-[5,7-difluoro-1-[(2-fluorophenyl)methyl]indazol-3-yl]pyrimidin-5-yl]-N-methylcarbamate;methyl N-[4,6-diamino-2-[5,7-difluoro-1-(pyridin-3-ylmethyl)indazol-3-yl]pyrimidin-5-yl]carbamate is sourced from PubChem (CID 157092735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).