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

C75H74N20O4 — CID 158225529

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
SMILESCCCOc1nn(C)c2cc(NC3=NCc4cccnc43)ccc12.Cn1nc(OCc2ccccc2)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.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;1-11(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);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
InChIKeyGDTFCKQFODATCG-METGXSTJSA-N
MW1322.57 g/mol
LogP12.92
Rot. Bonds14

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

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 (PubChem CID 158225529) has the molecular formula C75H74N20O4 and a molecular weight of 1322.57 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.

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
PubChem CID158225529
Molecular FormulaC75H74N20O4
Molecular Weight1322.57 g/mol
Exact Mass1321.64
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
SMILESCCCOc1nn(C)c2cc(NC3=NCc4cccnc43)ccc12.Cn1nc(OCc2ccccc2)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.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;1-11(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);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
InChIKeyGDTFCKQFODATCG-METGXSTJSA-N
XLogP12.92
TPSA257.32 Ų
H-Bond Donors4
H-Bond Acceptors24
Rotatable Bonds14
Heavy Atoms99
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001322.57
LogP ≤ 512.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1024

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 with MolForge

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Related Compounds

3-(3-fluorooxan-4-yl)oxy-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine
CID 148654645
3-[2-(4-fluorophenoxy)ethoxy]-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine
CID 149519095
3-[2-(2-fluorophenoxy)ethoxy]-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine
CID 152793790
3-cyclopentyloxy-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;3-cyclopentyloxy-1-methyl-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-6-amine;3-[(2,2-difluorocyclopropyl)methoxy]-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;3-(1,4-dioxan-2-ylmethoxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;3-(2-methoxyethoxy)-1-methyl-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-6-amine
CID 157094775
3-[(2,2-difluorocyclopropyl)methoxy]-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;3-(1,1-dioxothian-4-yl)oxy-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;3-(3-methoxypropoxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine
CID 160020367
3-cyclopentyloxy-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;3-cyclopentyloxy-1-methyl-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-6-amine;3-[(2,2-difluorocyclopropyl)methoxy]-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;3-(1,4-dioxan-2-ylmethoxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;3-(1,4-dioxan-2-ylmethoxy)-1-methyl-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-6-amine;3-(2-methoxyethoxy)-1-methyl-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-6-amine
CID 167668559
3-(2-fluorocyclohexyl)oxy-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine
CID 159730992
1-[3-Amino-5-imino-2,6-bis[[2-[(2-methylpropan-2-yl)oxy]pyrazolo[1,5-a]pyridin-3-yl]imino]-1-pyridinyl]-5-imino-2,6-bis[[2-(2-propan-2-yloxyethoxy)pyrazolo[1,5-a]pyridin-3-yl]imino]pyridin-3-amine
CID 135365084
1-[3-Amino-5-imino-2,6-bis[[2-(2-pyrrolidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]imino]-1-pyridinyl]-5-imino-2,6-bis[[2-(3-pyrrolidin-1-ylpropoxy)pyrazolo[1,5-a]pyridin-3-yl]imino]pyridin-3-amine
CID 135365115
1-[3-Amino-5-imino-2,6-bis[(2-propan-2-yloxypyrazolo[1,5-a]pyridin-3-yl)imino]-1-pyridinyl]-5-imino-2,6-bis[(2-propoxypyrazolo[1,5-a]pyridin-3-yl)imino]pyridin-3-amine
CID 135365116
3-(1,4-dioxan-2-ylmethoxy)-1-methyl-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-6-amine
CID 146856180
1-methyl-3-(pyridin-4-ylmethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine
CID 147131567

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?
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 (CID 158225529) 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.
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?
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 is CCCOc1nn(C)c2cc(NC3=NCc4cccnc43)ccc12.Cn1nc(OCc2ccccc2)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?
The InChIKey is GDTFCKQFODATCG-METGXSTJSA-N. The full InChI is InChI=1S/C22H19N5O.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;1-11(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);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?
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 has a molecular weight of 1322.57 g/mol, XLogP of 12.92, 14 rotatable bonds, 4 hydrogen bond donors, and 24 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 is sourced from PubChem (CID 158225529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).