4-[4-chloro-6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]pyrimidin-2-yl]morpholine;3H-inden-5-amine;N-(3H-inden-5-yl)-6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-amine;methane

C63H75ClN14O4 — CID 161036918

About 4-[4-chloro-6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]pyrimidin-2-yl]morpholine;3H-inden-5-amine;N-(3H-inden-5-yl)-6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-amine;methane

4-[4-chloro-6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]pyrimidin-2-yl]morpholine;3H-inden-5-amine;N-(3H-inden-5-yl)-6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-amine;methane (PubChem CID 161036918) has the molecular formula C63H75ClN14O4 and a molecular weight of 1127.84 g/mol. Its IUPAC name is 4-[4-chloro-6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]pyrimidin-2-yl]morpholine;3H-inden-5-amine;N-(3H-inden-5-yl)-6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-amine;methane.

Molecular Properties

• Compound Name: 4-[4-chloro-6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]pyrimidin-2-yl]morpholine;3H-inden-5-amine;N-(3H-inden-5-yl)-6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-amine;methane
• PubChem CID: 161036918
• Molecular Formula: C63H75ClN14O4
• Molecular Weight: 1127.84 g/mol
• Exact Mass: 1126.58
• IUPAC Name: 4-[4-chloro-6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]pyrimidin-2-yl]morpholine;3H-inden-5-amine;N-(3H-inden-5-yl)-6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-amine;methane
• SMILES: C.Cn1nc(CCN2CCOCC2)c2ccc(-c3cc(Cl)nc(N4CCOCC4)n3)cc21.Cn1nc(CCN2CCOCC2)c2ccc(-c3cc(Nc4ccc5c(c4)CC=C5)nc(N4CCOCC4)n3)cc21.Nc1ccc2c(c1)CC=C2
• InChI: InChI=1S/C31H35N7O2.C22H27ClN6O2.C9H9N.CH4/c1-36-29-20-24(6-8-26(29)27(35-36)9-10-37-11-15-39-16-12-37)28-21-30(34-31(33-28)38-13-17-40-18-14-38)32-25-7-5-22-3-2-4-23(22)19-25;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;10-9-5-4-7-2-1-3-8(7)6-9;/h2-3,5-8,19-21H,4,9-18H2,1H3,(H,32,33,34);2-3,14-15H,4-13H2,1H3;1-2,4-6H,3,10H2;1H4
• InChIKey: UAJISLVWHISIKS-UHFFFAOYSA-N
• XLogP: 8.92
• TPSA: 175.13 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 18
• Rotatable Bonds: 12
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1127.84
LogP ≤ 5	8.92
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	18

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;3H-inden-5-amine;N-(3H-inden-5-yl)-6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-amine;methane?

The IUPAC name of 4-[4-chloro-6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]pyrimidin-2-yl]morpholine;3H-inden-5-amine;N-(3H-inden-5-yl)-6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-amine;methane (CID 161036918) is 4-[4-chloro-6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]pyrimidin-2-yl]morpholine;3H-inden-5-amine;N-(3H-inden-5-yl)-6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-amine;methane.

What is the SMILES notation for 4-[4-chloro-6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]pyrimidin-2-yl]morpholine;3H-inden-5-amine;N-(3H-inden-5-yl)-6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-amine;methane?

The canonical SMILES for 4-[4-chloro-6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]pyrimidin-2-yl]morpholine;3H-inden-5-amine;N-(3H-inden-5-yl)-6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-amine;methane is C.Cn1nc(CCN2CCOCC2)c2ccc(-c3cc(Cl)nc(N4CCOCC4)n3)cc21.Cn1nc(CCN2CCOCC2)c2ccc(-c3cc(Nc4ccc5c(c4)CC=C5)nc(N4CCOCC4)n3)cc21.Nc1ccc2c(c1)CC=C2.

What is the InChIKey of 4-[4-chloro-6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]pyrimidin-2-yl]morpholine;3H-inden-5-amine;N-(3H-inden-5-yl)-6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-amine;methane?

The InChIKey is UAJISLVWHISIKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35N7O2.C22H27ClN6O2.C9H9N.CH4/c1-36-29-20-24(6-8-26(29)27(35-36)9-10-37-11-15-39-16-12-37)28-21-30(34-31(33-28)38-13-17-40-18-14-38)32-25-7-5-22-3-2-4-23(22)19-25;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;10-9-5-4-7-2-1-3-8(7)6-9;/h2-3,5-8,19-21H,4,9-18H2,1H3,(H,32,33,34);2-3,14-15H,4-13H2,1H3;1-2,4-6H,3,10H2;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;3H-inden-5-amine;N-(3H-inden-5-yl)-6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-amine;methane?

4-[4-chloro-6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]pyrimidin-2-yl]morpholine;3H-inden-5-amine;N-(3H-inden-5-yl)-6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-amine;methane has a molecular weight of 1127.84 g/mol, XLogP of 8.92, 12 rotatable bonds, 2 hydrogen bond donors, and 18 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;3H-inden-5-amine;N-(3H-inden-5-yl)-6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-amine;methane is sourced from PubChem (CID 161036918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).