tert-butyl 6-aminoindazole-1-carboxylate;tert-butyl 6-[[6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-yl]amino]indazole-1-carboxylate;4-[4-chloro-6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]pyrimidin-2-yl]morpholine;methane;N-[6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-yl]-3H-isoindol-5-amine

C100H125ClN26O10 — CID 161332029

About tert-butyl 6-aminoindazole-1-carboxylate;tert-butyl 6-[[6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-yl]amino]indazole-1-carboxylate;4-[4-chloro-6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]pyrimidin-2-yl]morpholine;methane;N-[6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-yl]-3H-isoindol-5-amine

tert-butyl 6-aminoindazole-1-carboxylate;tert-butyl 6-[[6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-yl]amino]indazole-1-carboxylate;4-[4-chloro-6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]pyrimidin-2-yl]morpholine;methane;N-[6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-yl]-3H-isoindol-5-amine (PubChem CID 161332029) has the molecular formula C100H125ClN26O10 and a molecular weight of 1886.72 g/mol. Its IUPAC name is tert-butyl 6-aminoindazole-1-carboxylate;tert-butyl 6-[[6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-yl]amino]indazole-1-carboxylate;4-[4-chloro-6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]pyrimidin-2-yl]morpholine;methane;N-[6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-yl]-3H-isoindol-5-amine.

Molecular Properties

• Compound Name: tert-butyl 6-aminoindazole-1-carboxylate;tert-butyl 6-[[6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-yl]amino]indazole-1-carboxylate;4-[4-chloro-6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]pyrimidin-2-yl]morpholine;methane;N-[6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-yl]-3H-isoindol-5-amine
• PubChem CID: 161332029
• Molecular Formula: C100H125ClN26O10
• Molecular Weight: 1886.72 g/mol
• Exact Mass: 1884.98
• IUPAC Name: tert-butyl 6-aminoindazole-1-carboxylate;tert-butyl 6-[[6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-yl]amino]indazole-1-carboxylate;4-[4-chloro-6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]pyrimidin-2-yl]morpholine;methane;N-[6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-yl]-3H-isoindol-5-amine
• SMILES: C.C.CC(C)(C)OC(=O)n1ncc2ccc(N)cc21.Cn1nc(CCN2CCOCC2)c2ccc(-c3cc(Cl)nc(N4CCOCC4)n3)cc21.Cn1nc(CCN2CCOCC2)c2ccc(-c3cc(Nc4ccc5c(c4)CN=C5)nc(N4CCOCC4)n3)cc21.Cn1nc(CCN2CCOCC2)c2ccc(-c3cc(Nc4ccc5cnn(C(=O)OC(C)(C)C)c5c4)nc(N4CCOCC4)n3)cc21
• InChI: InChI=1S/C34H41N9O4.C30H34N8O2.C22H27ClN6O2.C12H15N3O2.2CH4/c1-34(2,3)47-33(44)43-29-20-25(7-5-24(29)22-35-43)36-31-21-28(37-32(38-31)42-13-17-46-18-14-42)23-6-8-26-27(39-40(4)30(26)19-23)9-10-41-11-15-45-16-12-41;1-36-28-17-21(3-5-25(28)26(35-36)6-7-37-8-12-39-13-9-37)27-18-29(34-30(33-27)38-10-14-40-15-11-38)32-24-4-2-22-19-31-20-23(22)16-24;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;1-12(2,3)17-11(16)15-10-6-9(13)5-4-8(10)7-14-15;;/h5-8,19-22H,9-18H2,1-4H3,(H,36,37,38);2-5,16-19H,6-15,20H2,1H3,(H,32,33,34);2-3,14-15H,4-13H2,1H3;4-7H,13H2,1-3H3;2*1H4
• InChIKey: VLNUWJTTXCGSBF-UHFFFAOYSA-N
• XLogP: 14.10
• TPSA: 356.30 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 36
• Rotatable Bonds: 19
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1886.72
LogP ≤ 5	14.10
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-aminoindazole-1-carboxylate;tert-butyl 6-[[6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-yl]amino]indazole-1-carboxylate;4-[4-chloro-6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]pyrimidin-2-yl]morpholine;methane;N-[6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-yl]-3H-isoindol-5-amine?

The IUPAC name of tert-butyl 6-aminoindazole-1-carboxylate;tert-butyl 6-[[6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-yl]amino]indazole-1-carboxylate;4-[4-chloro-6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]pyrimidin-2-yl]morpholine;methane;N-[6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-yl]-3H-isoindol-5-amine (CID 161332029) is tert-butyl 6-aminoindazole-1-carboxylate;tert-butyl 6-[[6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-yl]amino]indazole-1-carboxylate;4-[4-chloro-6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]pyrimidin-2-yl]morpholine;methane;N-[6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-yl]-3H-isoindol-5-amine.

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

The canonical SMILES for tert-butyl 6-aminoindazole-1-carboxylate;tert-butyl 6-[[6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-yl]amino]indazole-1-carboxylate;4-[4-chloro-6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]pyrimidin-2-yl]morpholine;methane;N-[6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-yl]-3H-isoindol-5-amine is C.C.CC(C)(C)OC(=O)n1ncc2ccc(N)cc21.Cn1nc(CCN2CCOCC2)c2ccc(-c3cc(Cl)nc(N4CCOCC4)n3)cc21.Cn1nc(CCN2CCOCC2)c2ccc(-c3cc(Nc4ccc5c(c4)CN=C5)nc(N4CCOCC4)n3)cc21.Cn1nc(CCN2CCOCC2)c2ccc(-c3cc(Nc4ccc5cnn(C(=O)OC(C)(C)C)c5c4)nc(N4CCOCC4)n3)cc21.

What is the InChIKey of tert-butyl 6-aminoindazole-1-carboxylate;tert-butyl 6-[[6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-yl]amino]indazole-1-carboxylate;4-[4-chloro-6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]pyrimidin-2-yl]morpholine;methane;N-[6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-yl]-3H-isoindol-5-amine?

The InChIKey is VLNUWJTTXCGSBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H41N9O4.C30H34N8O2.C22H27ClN6O2.C12H15N3O2.2CH4/c1-34(2,3)47-33(44)43-29-20-25(7-5-24(29)22-35-43)36-31-21-28(37-32(38-31)42-13-17-46-18-14-42)23-6-8-26-27(39-40(4)30(26)19-23)9-10-41-11-15-45-16-12-41;1-36-28-17-21(3-5-25(28)26(35-36)6-7-37-8-12-39-13-9-37)27-18-29(34-30(33-27)38-10-14-40-15-11-38)32-24-4-2-22-19-31-20-23(22)16-24;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;1-12(2,3)17-11(16)15-10-6-9(13)5-4-8(10)7-14-15;;/h5-8,19-22H,9-18H2,1-4H3,(H,36,37,38);2-5,16-19H,6-15,20H2,1H3,(H,32,33,34);2-3,14-15H,4-13H2,1H3;4-7H,13H2,1-3H3;2*1H4.

What are the key properties of tert-butyl 6-aminoindazole-1-carboxylate;tert-butyl 6-[[6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-yl]amino]indazole-1-carboxylate;4-[4-chloro-6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]pyrimidin-2-yl]morpholine;methane;N-[6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-yl]-3H-isoindol-5-amine?

tert-butyl 6-aminoindazole-1-carboxylate;tert-butyl 6-[[6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-yl]amino]indazole-1-carboxylate;4-[4-chloro-6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]pyrimidin-2-yl]morpholine;methane;N-[6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-yl]-3H-isoindol-5-amine has a molecular weight of 1886.72 g/mol, XLogP of 14.10, 19 rotatable bonds, 3 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 6-aminoindazole-1-carboxylate;tert-butyl 6-[[6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-yl]amino]indazole-1-carboxylate;4-[4-chloro-6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]pyrimidin-2-yl]morpholine;methane;N-[6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-yl]-3H-isoindol-5-amine is sourced from PubChem (CID 161332029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).