4-[4-chloro-6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]pyrimidin-2-yl]morpholine;methane;1-methylindol-6-amine;1-methyl-N-[6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-yl]indol-6-amine

C63H77ClN16O4 — CID 158701251

About 4-[4-chloro-6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]pyrimidin-2-yl]morpholine;methane;1-methylindol-6-amine;1-methyl-N-[6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-yl]indol-6-amine

4-[4-chloro-6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]pyrimidin-2-yl]morpholine;methane;1-methylindol-6-amine;1-methyl-N-[6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-yl]indol-6-amine (PubChem CID 158701251) has the molecular formula C63H77ClN16O4 and a molecular weight of 1157.87 g/mol. Its IUPAC name is 4-[4-chloro-6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]pyrimidin-2-yl]morpholine;methane;1-methylindol-6-amine;1-methyl-N-[6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-yl]indol-6-amine.

Molecular Properties

• Compound Name: 4-[4-chloro-6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]pyrimidin-2-yl]morpholine;methane;1-methylindol-6-amine;1-methyl-N-[6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-yl]indol-6-amine
• PubChem CID: 158701251
• Molecular Formula: C63H77ClN16O4
• Molecular Weight: 1157.87 g/mol
• Exact Mass: 1156.60
• IUPAC Name: 4-[4-chloro-6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]pyrimidin-2-yl]morpholine;methane;1-methylindol-6-amine;1-methyl-N-[6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-yl]indol-6-amine
• SMILES: C.Cn1ccc2ccc(N)cc21.Cn1ccc2ccc(Nc3cc(-c4ccc5c(CCN6CCOCC6)nn(C)c5c4)nc(N4CCOCC4)n3)cc21.Cn1nc(CCN2CCOCC2)c2ccc(-c3cc(Cl)nc(N4CCOCC4)n3)cc21
• InChI: InChI=1S/C31H36N8O2.C22H27ClN6O2.C9H10N2.CH4/c1-36-9-7-22-3-5-24(20-28(22)36)32-30-21-27(33-31(34-30)39-13-17-41-18-14-39)23-4-6-25-26(35-37(2)29(25)19-23)8-10-38-11-15-40-16-12-38;1-27-20-14-16(19-15-21(23)25-22(24-19)29-8-12-31-13-9-29)2-3-17(20)18(26-27)4-5-28-6-10-30-11-7-28;1-11-5-4-7-2-3-8(10)6-9(7)11;/h3-7,9,19-21H,8,10-18H2,1-2H3,(H,32,33,34);2-3,14-15H,4-13H2,1H3;2-6H,10H2,1H3;1H4
• InChIKey: IHOOBGAHCXYNLI-UHFFFAOYSA-N
• XLogP: 8.77
• TPSA: 184.99 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 20
• Rotatable Bonds: 12
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1157.87
LogP ≤ 5	8.77
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[4-chloro-6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]pyrimidin-2-yl]morpholine;methane;1-methylindol-6-amine;1-methyl-N-[6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-yl]indol-6-amine?

The IUPAC name of 4-[4-chloro-6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]pyrimidin-2-yl]morpholine;methane;1-methylindol-6-amine;1-methyl-N-[6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-yl]indol-6-amine (CID 158701251) is 4-[4-chloro-6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]pyrimidin-2-yl]morpholine;methane;1-methylindol-6-amine;1-methyl-N-[6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-yl]indol-6-amine.

What is the SMILES notation for 4-[4-chloro-6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]pyrimidin-2-yl]morpholine;methane;1-methylindol-6-amine;1-methyl-N-[6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-yl]indol-6-amine?

The canonical SMILES for 4-[4-chloro-6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]pyrimidin-2-yl]morpholine;methane;1-methylindol-6-amine;1-methyl-N-[6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-yl]indol-6-amine is C.Cn1ccc2ccc(N)cc21.Cn1ccc2ccc(Nc3cc(-c4ccc5c(CCN6CCOCC6)nn(C)c5c4)nc(N4CCOCC4)n3)cc21.Cn1nc(CCN2CCOCC2)c2ccc(-c3cc(Cl)nc(N4CCOCC4)n3)cc21.

What is the InChIKey of 4-[4-chloro-6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]pyrimidin-2-yl]morpholine;methane;1-methylindol-6-amine;1-methyl-N-[6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-yl]indol-6-amine?

The InChIKey is IHOOBGAHCXYNLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36N8O2.C22H27ClN6O2.C9H10N2.CH4/c1-36-9-7-22-3-5-24(20-28(22)36)32-30-21-27(33-31(34-30)39-13-17-41-18-14-39)23-4-6-25-26(35-37(2)29(25)19-23)8-10-38-11-15-40-16-12-38;1-27-20-14-16(19-15-21(23)25-22(24-19)29-8-12-31-13-9-29)2-3-17(20)18(26-27)4-5-28-6-10-30-11-7-28;1-11-5-4-7-2-3-8(10)6-9(7)11;/h3-7,9,19-21H,8,10-18H2,1-2H3,(H,32,33,34);2-3,14-15H,4-13H2,1H3;2-6H,10H2,1H3;1H4.

What are the key properties of 4-[4-chloro-6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]pyrimidin-2-yl]morpholine;methane;1-methylindol-6-amine;1-methyl-N-[6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-yl]indol-6-amine?

4-[4-chloro-6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]pyrimidin-2-yl]morpholine;methane;1-methylindol-6-amine;1-methyl-N-[6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-yl]indol-6-amine has a molecular weight of 1157.87 g/mol, XLogP of 8.77, 12 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-chloro-6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]pyrimidin-2-yl]morpholine;methane;1-methylindol-6-amine;1-methyl-N-[6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-yl]indol-6-amine is sourced from PubChem (CID 158701251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).