3-(2-deuteriopropan-2-yloxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;3-(1,1-dideuterioethoxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-phenylmethoxy-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-propoxy-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-(pyridin-4-ylmethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine

C96H92N26O5 — CID 167535778

IUPAC3-(2-deuteriopropan-2-yloxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;3-(1,1-dideuterioethoxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-phenylmethoxy-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-propoxy-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-(pyridin-4-ylmethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine
SMILESCCCOc1nn(C)c2cc(NC3=NCc4cccnc43)ccc12.Cn1nc(OCc2ccccc2)c2ccc(NC3=NCc4cccnc43)cc21.Cn1nc(OCc2ccncc2)c2ccc(NC3=NCc4cccnc43)cc21.[2H]C(C)(C)Oc1nn(C)c2cc(NC3=NCc4cccnc43)ccc12.[2H]C([2H])(C)Oc1nn(C)c2cc(NC3=NCc4cccnc43)ccc12
InChIInChI=1S/C22H19N5O.C21H18N6O.2C18H19N5O.C17H17N5O/c1-27-19-12-17(25-21-20-16(13-24-21)8-5-11-23-20)9-10-18(19)22(26-27)28-14-15-6-3-2-4-7-15;1-27-18-11-16(25-20-19-15(12-24-20)3-2-8-23-19)4-5-17(18)21(26-27)28-13-14-6-9-22-10-7-14;1-11(2)24-18-14-7-6-13(9-15(14)23(3)22-18)21-17-16-12(10-20-17)5-4-8-19-16;1-3-9-24-18-14-7-6-13(10-15(14)23(2)22-18)21-17-16-12(11-20-17)5-4-8-19-16;1-3-23-17-13-7-6-12(9-14(13)22(2)21-17)20-16-15-11(10-19-16)5-4-8-18-15/h2-12H,13-14H2,1H3,(H,24,25);2-11H,12-13H2,1H3,(H,24,25);4-9,11H,10H2,1-3H3,(H,20,21);4-8,10H,3,9,11H2,1-2H3,(H,20,21);4-9H,3,10H2,1-2H3,(H,19,20)/i;;11D;;3D2
InChIKeyANUDFYILOTYVFR-ROBLPPDASA-N
MW1692.99 g/mol
LogP16.23
Rot. Bonds18

About 3-(2-deuteriopropan-2-yloxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;3-(1,1-dideuterioethoxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-phenylmethoxy-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-propoxy-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-(pyridin-4-ylmethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine

3-(2-deuteriopropan-2-yloxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;3-(1,1-dideuterioethoxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-phenylmethoxy-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-propoxy-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-(pyridin-4-ylmethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine (PubChem CID 167535778) has the molecular formula C96H92N26O5 and a molecular weight of 1692.99 g/mol. Its IUPAC name is 3-(2-deuteriopropan-2-yloxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;3-(1,1-dideuterioethoxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-phenylmethoxy-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-propoxy-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-(pyridin-4-ylmethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine.

Molecular Properties

Compound Name3-(2-deuteriopropan-2-yloxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;3-(1,1-dideuterioethoxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-phenylmethoxy-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-propoxy-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-(pyridin-4-ylmethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine
PubChem CID167535778
Molecular FormulaC96H92N26O5
Molecular Weight1692.99 g/mol
Exact Mass1691.79
IUPAC Name3-(2-deuteriopropan-2-yloxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;3-(1,1-dideuterioethoxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-phenylmethoxy-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-propoxy-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-(pyridin-4-ylmethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine
SMILESCCCOc1nn(C)c2cc(NC3=NCc4cccnc43)ccc12.Cn1nc(OCc2ccccc2)c2ccc(NC3=NCc4cccnc43)cc21.Cn1nc(OCc2ccncc2)c2ccc(NC3=NCc4cccnc43)cc21.[2H]C(C)(C)Oc1nn(C)c2cc(NC3=NCc4cccnc43)ccc12.[2H]C([2H])(C)Oc1nn(C)c2cc(NC3=NCc4cccnc43)ccc12
InChIInChI=1S/C22H19N5O.C21H18N6O.2C18H19N5O.C17H17N5O/c1-27-19-12-17(25-21-20-16(13-24-21)8-5-11-23-20)9-10-18(19)22(26-27)28-14-15-6-3-2-4-7-15;1-27-18-11-16(25-20-19-15(12-24-20)3-2-8-23-19)4-5-17(18)21(26-27)28-13-14-6-9-22-10-7-14;1-11(2)24-18-14-7-6-13(9-15(14)23(3)22-18)21-17-16-12(10-20-17)5-4-8-19-16;1-3-9-24-18-14-7-6-13(10-15(14)23(2)22-18)21-17-16-12(11-20-17)5-4-8-19-16;1-3-23-17-13-7-6-12(9-14(13)22(2)21-17)20-16-15-11(10-19-16)5-4-8-18-15/h2-12H,13-14H2,1H3,(H,24,25);2-11H,12-13H2,1H3,(H,24,25);4-9,11H,10H2,1-3H3,(H,20,21);4-8,10H,3,9,11H2,1-2H3,(H,20,21);4-9H,3,10H2,1-2H3,(H,19,20)/i;;11D;;3D2
InChIKeyANUDFYILOTYVFR-ROBLPPDASA-N
XLogP16.23
TPSA334.54 Ų
H-Bond Donors5
H-Bond Acceptors31
Rotatable Bonds18
Heavy Atoms127
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001692.99
LogP ≤ 516.23
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1031

Analyze 3-(2-deuteriopropan-2-yloxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;3-(1,1-dideuterioethoxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-phenylmethoxy-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-propoxy-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-(pyridin-4-ylmethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(2-deuteriopropan-2-yloxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;3-(1,1-dideuterioethoxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-phenylmethoxy-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-propoxy-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-(pyridin-4-ylmethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine?
The IUPAC name of 3-(2-deuteriopropan-2-yloxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;3-(1,1-dideuterioethoxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-phenylmethoxy-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-propoxy-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-(pyridin-4-ylmethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine (CID 167535778) is 3-(2-deuteriopropan-2-yloxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;3-(1,1-dideuterioethoxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-phenylmethoxy-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-propoxy-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-(pyridin-4-ylmethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine.
What is the SMILES notation for 3-(2-deuteriopropan-2-yloxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;3-(1,1-dideuterioethoxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-phenylmethoxy-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-propoxy-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-(pyridin-4-ylmethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine?
The canonical SMILES for 3-(2-deuteriopropan-2-yloxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;3-(1,1-dideuterioethoxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-phenylmethoxy-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-propoxy-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-(pyridin-4-ylmethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine is CCCOc1nn(C)c2cc(NC3=NCc4cccnc43)ccc12.Cn1nc(OCc2ccccc2)c2ccc(NC3=NCc4cccnc43)cc21.Cn1nc(OCc2ccncc2)c2ccc(NC3=NCc4cccnc43)cc21.[2H]C(C)(C)Oc1nn(C)c2cc(NC3=NCc4cccnc43)ccc12.[2H]C([2H])(C)Oc1nn(C)c2cc(NC3=NCc4cccnc43)ccc12.
What is the InChIKey of 3-(2-deuteriopropan-2-yloxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;3-(1,1-dideuterioethoxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-phenylmethoxy-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-propoxy-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-(pyridin-4-ylmethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine?
The InChIKey is ANUDFYILOTYVFR-ROBLPPDASA-N. The full InChI is InChI=1S/C22H19N5O.C21H18N6O.2C18H19N5O.C17H17N5O/c1-27-19-12-17(25-21-20-16(13-24-21)8-5-11-23-20)9-10-18(19)22(26-27)28-14-15-6-3-2-4-7-15;1-27-18-11-16(25-20-19-15(12-24-20)3-2-8-23-19)4-5-17(18)21(26-27)28-13-14-6-9-22-10-7-14;1-11(2)24-18-14-7-6-13(9-15(14)23(3)22-18)21-17-16-12(10-20-17)5-4-8-19-16;1-3-9-24-18-14-7-6-13(10-15(14)23(2)22-18)21-17-16-12(11-20-17)5-4-8-19-16;1-3-23-17-13-7-6-12(9-14(13)22(2)21-17)20-16-15-11(10-19-16)5-4-8-18-15/h2-12H,13-14H2,1H3,(H,24,25);2-11H,12-13H2,1H3,(H,24,25);4-9,11H,10H2,1-3H3,(H,20,21);4-8,10H,3,9,11H2,1-2H3,(H,20,21);4-9H,3,10H2,1-2H3,(H,19,20)/i;;11D;;3D2.
What are the key properties of 3-(2-deuteriopropan-2-yloxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;3-(1,1-dideuterioethoxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-phenylmethoxy-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-propoxy-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-(pyridin-4-ylmethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine?
3-(2-deuteriopropan-2-yloxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;3-(1,1-dideuterioethoxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-phenylmethoxy-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-propoxy-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-(pyridin-4-ylmethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine has a molecular weight of 1692.99 g/mol, XLogP of 16.23, 18 rotatable bonds, 5 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-deuteriopropan-2-yloxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;3-(1,1-dideuterioethoxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-phenylmethoxy-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-propoxy-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-(pyridin-4-ylmethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine is sourced from PubChem (CID 167535778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).