3-amino-N-[3-(cyclopentylmethoxy)-1-methylindazol-6-yl]pyridine-2-carboxamide;tris(3-amino-N-[3-(cyclopentylmethoxy)-1-methylpyrazolo[4,3-b]pyridin-6-yl]pyridine-2-carboxamide);3-amino-N-[3-(1,4-dioxan-2-ylmethoxy)-1-methylindazol-6-yl]pyridine-2-carboxamide;3-amino-N-[1-methyl-3-(oxan-4-ylmethoxy)indazol-6-yl]pyridine-2-carboxamide

C116H133N33O15 — CID 158534735

IUPAC3-amino-N-[3-(cyclopentylmethoxy)-1-methylindazol-6-yl]pyridine-2-carboxamide;tris(3-amino-N-[3-(cyclopentylmethoxy)-1-methylpyrazolo[4,3-b]pyridin-6-yl]pyridine-2-carboxamide);3-amino-N-[3-(1,4-dioxan-2-ylmethoxy)-1-methylindazol-6-yl]pyridine-2-carboxamide;3-amino-N-[1-methyl-3-(oxan-4-ylmethoxy)indazol-6-yl]pyridine-2-carboxamide
SMILESCn1nc(OCC2CCCC2)c2ccc(NC(=O)c3ncccc3N)cc21.Cn1nc(OCC2CCCC2)c2ncc(NC(=O)c3ncccc3N)cc21.Cn1nc(OCC2CCCC2)c2ncc(NC(=O)c3ncccc3N)cc21.Cn1nc(OCC2CCCC2)c2ncc(NC(=O)c3ncccc3N)cc21.Cn1nc(OCC2CCOCC2)c2ccc(NC(=O)c3ncccc3N)cc21.Cn1nc(OCC2COCCO2)c2ccc(NC(=O)c3ncccc3N)cc21
InChIInChI=1S/C20H23N5O3.C20H23N5O2.3C19H22N6O2.C19H21N5O4/c1-25-17-11-14(23-19(26)18-16(21)3-2-8-22-18)4-5-15(17)20(24-25)28-12-13-6-9-27-10-7-13;1-25-17-11-14(23-19(26)18-16(21)7-4-10-22-18)8-9-15(17)20(24-25)27-12-13-5-2-3-6-13;3*1-25-15-9-13(23-18(26)16-14(20)7-4-8-21-16)10-22-17(15)19(24-25)27-11-12-5-2-3-6-12;1-24-16-9-12(22-18(25)17-15(20)3-2-6-21-17)4-5-14(16)19(23-24)28-11-13-10-26-7-8-27-13/h2-5,8,11,13H,6-7,9-10,12,21H2,1H3,(H,23,26);4,7-11,13H,2-3,5-6,12,21H2,1H3,(H,23,26);3*4,7-10,12H,2-3,5-6,11,20H2,1H3,(H,23,26);2-6,9,13H,7-8,10-11,20H2,1H3,(H,22,25)
InChIKeyHNUNIEKQAQCMFE-UHFFFAOYSA-N
MW2229.56 g/mol
LogP15.88
Rot. Bonds30

About 3-amino-N-[3-(cyclopentylmethoxy)-1-methylindazol-6-yl]pyridine-2-carboxamide;tris(3-amino-N-[3-(cyclopentylmethoxy)-1-methylpyrazolo[4,3-b]pyridin-6-yl]pyridine-2-carboxamide);3-amino-N-[3-(1,4-dioxan-2-ylmethoxy)-1-methylindazol-6-yl]pyridine-2-carboxamide;3-amino-N-[1-methyl-3-(oxan-4-ylmethoxy)indazol-6-yl]pyridine-2-carboxamide

3-amino-N-[3-(cyclopentylmethoxy)-1-methylindazol-6-yl]pyridine-2-carboxamide;tris(3-amino-N-[3-(cyclopentylmethoxy)-1-methylpyrazolo[4,3-b]pyridin-6-yl]pyridine-2-carboxamide);3-amino-N-[3-(1,4-dioxan-2-ylmethoxy)-1-methylindazol-6-yl]pyridine-2-carboxamide;3-amino-N-[1-methyl-3-(oxan-4-ylmethoxy)indazol-6-yl]pyridine-2-carboxamide (PubChem CID 158534735) has the molecular formula C116H133N33O15 and a molecular weight of 2229.56 g/mol. Its IUPAC name is 3-amino-N-[3-(cyclopentylmethoxy)-1-methylindazol-6-yl]pyridine-2-carboxamide;tris(3-amino-N-[3-(cyclopentylmethoxy)-1-methylpyrazolo[4,3-b]pyridin-6-yl]pyridine-2-carboxamide);3-amino-N-[3-(1,4-dioxan-2-ylmethoxy)-1-methylindazol-6-yl]pyridine-2-carboxamide;3-amino-N-[1-methyl-3-(oxan-4-ylmethoxy)indazol-6-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[3-(cyclopentylmethoxy)-1-methylindazol-6-yl]pyridine-2-carboxamide;tris(3-amino-N-[3-(cyclopentylmethoxy)-1-methylpyrazolo[4,3-b]pyridin-6-yl]pyridine-2-carboxamide);3-amino-N-[3-(1,4-dioxan-2-ylmethoxy)-1-methylindazol-6-yl]pyridine-2-carboxamide;3-amino-N-[1-methyl-3-(oxan-4-ylmethoxy)indazol-6-yl]pyridine-2-carboxamide
PubChem CID158534735
Molecular FormulaC116H133N33O15
Molecular Weight2229.56 g/mol
Exact Mass2228.07
IUPAC Name3-amino-N-[3-(cyclopentylmethoxy)-1-methylindazol-6-yl]pyridine-2-carboxamide;tris(3-amino-N-[3-(cyclopentylmethoxy)-1-methylpyrazolo[4,3-b]pyridin-6-yl]pyridine-2-carboxamide);3-amino-N-[3-(1,4-dioxan-2-ylmethoxy)-1-methylindazol-6-yl]pyridine-2-carboxamide;3-amino-N-[1-methyl-3-(oxan-4-ylmethoxy)indazol-6-yl]pyridine-2-carboxamide
SMILESCn1nc(OCC2CCCC2)c2ccc(NC(=O)c3ncccc3N)cc21.Cn1nc(OCC2CCCC2)c2ncc(NC(=O)c3ncccc3N)cc21.Cn1nc(OCC2CCCC2)c2ncc(NC(=O)c3ncccc3N)cc21.Cn1nc(OCC2CCCC2)c2ncc(NC(=O)c3ncccc3N)cc21.Cn1nc(OCC2CCOCC2)c2ccc(NC(=O)c3ncccc3N)cc21.Cn1nc(OCC2COCCO2)c2ccc(NC(=O)c3ncccc3N)cc21
InChIInChI=1S/C20H23N5O3.C20H23N5O2.3C19H22N6O2.C19H21N5O4/c1-25-17-11-14(23-19(26)18-16(21)3-2-8-22-18)4-5-15(17)20(24-25)28-12-13-6-9-27-10-7-13;1-25-17-11-14(23-19(26)18-16(21)7-4-10-22-18)8-9-15(17)20(24-25)27-12-13-5-2-3-6-13;3*1-25-15-9-13(23-18(26)16-14(20)7-4-8-21-16)10-22-17(15)19(24-25)27-11-12-5-2-3-6-12;1-24-16-9-12(22-18(25)17-15(20)3-2-6-21-17)4-5-14(16)19(23-24)28-11-13-10-26-7-8-27-13/h2-5,8,11,13H,6-7,9-10,12,21H2,1H3,(H,23,26);4,7-11,13H,2-3,5-6,12,21H2,1H3,(H,23,26);3*4,7-10,12H,2-3,5-6,11,20H2,1H3,(H,23,26);2-6,9,13H,7-8,10-11,20H2,1H3,(H,22,25)
InChIKeyHNUNIEKQAQCMFE-UHFFFAOYSA-N
XLogP15.88
TPSA636.72 Ų
H-Bond Donors12
H-Bond Acceptors42
Rotatable Bonds30
Heavy Atoms164
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002229.56
LogP ≤ 515.88
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1042

Analyze 3-amino-N-[3-(cyclopentylmethoxy)-1-methylindazol-6-yl]pyridine-2-carboxamide;tris(3-amino-N-[3-(cyclopentylmethoxy)-1-methylpyrazolo[4,3-b]pyridin-6-yl]pyridine-2-carboxamide);3-amino-N-[3-(1,4-dioxan-2-ylmethoxy)-1-methylindazol-6-yl]pyridine-2-carboxamide;3-amino-N-[1-methyl-3-(oxan-4-ylmethoxy)indazol-6-yl]pyridine-2-carboxamide with MolForge

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Related Compounds

(3-amino-5-methyl-2-pyridinyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;2-cyclopentyl-1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone;cyclopentyl-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;2-(2,2-difluoropropoxy)-1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone;2-[(2-methylpropan-2-yl)oxy]-1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone;1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-propan-2-yloxyethanone
CID 157459897
N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-pyridin-4-yloxypyridine-2-carboxamide;N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-pyridin-4-ylpyridine-2-carboxamide;N-(1-methyl-3-pyrazin-2-ylpyrazol-4-yl)-6-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-2-carboxamide;N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-6-(2-oxo-1H-pyridin-4-yl)pyridine-2-carboxamide;N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-6-(6-oxo-1H-pyridin-3-yl)pyridine-2-carboxamide
CID 158297360
6-(2-methoxy-4-pyridinyl)-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide;6-(5-methoxy-3-pyridinyl)-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide;6-(6-methoxy-3-pyridinyl)-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide;N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-6-[5-(oxan-4-yloxy)-3-pyridinyl]pyridine-2-carboxamide;N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-6-(5-propan-2-yloxy-3-pyridinyl)pyridine-2-carboxamide;N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-6-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-2-carboxamide
CID 158509198
3-amino-N-[3-[(2,2-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]pyridine-2-carboxamide;N-[3-[(2,2-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]-5-fluoropyridine-2-carboxamide;N-[3-[(2,2-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]pyridine-2-carboxamide;N-[3-[(5,5-dimethyloxolan-3-yl)methoxy]-1-methylindazol-6-yl]-5-fluoropyridine-2-carboxamide
CID 157079810
bis(3-amino-N-[3-(cyclopentylmethoxy)-1-methylpyrazolo[4,3-b]pyridin-6-yl]pyridine-2-carboxamide);N-[3-(cyclopentylmethoxy)-1-methylindazol-6-yl]-5-fluoropyridine-2-carboxamide
CID 157140314
3-amino-N-[3-[[(2S)-1,4-dioxan-2-yl]methoxy]-1-methylindazol-6-yl]pyridine-2-carboxamide;3-amino-N-[3-[[(2R)-1,4-dioxan-2-yl]methoxy]-1-methylindazol-6-yl]pyridine-2-carboxamide;N-[3-(cyclopentylmethoxy)-1-methylindazol-6-yl]-6-fluoropyridine-2-carboxamide;N-[3-(cyclopentylmethoxy)-1-methylindazol-6-yl]-3-methylfuran-2-carboxamide
CID 157144201
3-amino-N-[3-(2-fluorocyclohexyl)oxy-1-methylindazol-6-yl]pyridine-2-carboxamide;N-[3-(2,2-dimethyloxan-4-yl)oxy-1-methylindazol-6-yl]-3-hydroxypyridine-2-carboxamide;N-[3-(2-fluorocyclohexyl)oxy-1-methylindazol-6-yl]-3-hydroxypyridine-2-carboxamide;N-[3-(2-fluorocyclohexyl)oxy-1-methylindazol-6-yl]pyridine-2-carboxamide
CID 157252809
3-amino-N-[3-[[(2S)-1,4-dioxan-2-yl]methoxy]-1-methylindazol-6-yl]pyridine-2-carboxamide;3-amino-N-[3-[[(2R)-1,4-dioxan-2-yl]methoxy]-1-methylindazol-6-yl]pyridine-2-carboxamide;N-[3-(cyclopentylmethoxy)-1H-indazol-6-yl]pyridine-2-carboxamide;N-[3-(cyclopentylmethoxy)-1-methylindazol-6-yl]-6-fluoropyridine-2-carboxamide;N-[3-[[(2S)-1,4-dioxan-2-yl]methoxy]-1-methylindazol-6-yl]pyridine-2-carboxamide;5-fluoro-N-[3-[2-(3-fluoro-3-methylcyclobutyl)acetyl]-1-methylindazol-6-yl]pyridine-2-carboxamide
CID 157309381
3-amino-N-[3-[(5,5-dimethyloxolan-3-yl)methoxy]-1-methylindazol-6-yl]pyridine-2-carboxamide;6-chloro-N-[3-(cyclopentylmethoxy)-1-methylindazol-6-yl]pyridine-2-carboxamide;N-[3-(cyclopentylmethoxy)-1-methylindazol-6-yl]-3,5-difluoropyridine-2-carboxamide;N-[3-(cyclopentylmethoxy)-1-methylindazol-6-yl]-3-fluoropyridine-2-carboxamide;N-[3-(cyclopentylmethoxy)-1-methylindazol-6-yl]-4-fluoropyridine-2-carboxamide;N-[3-[(5,5-dimethyloxolan-3-yl)methoxy]-1-methylindazol-6-yl]pyridine-2-carboxamide
CID 157448647
3-amino-N-[3-(cyclopentylmethoxy)-1-methylindazol-6-yl]pyridine-2-carboxamide;3-amino-N-[1-methyl-3-(1-methylidene-1-oxothian-4-yl)oxyindazol-6-yl]pyridine-2-carboxamide;N-[3-(cyclopentylmethoxy)-1-methylindazol-6-yl]-3-hydroxypyridine-2-carboxamide;N-[3-(cyclopentylmethoxy)-1-methylindazol-6-yl]pyridine-2-carboxamide;3-hydroxy-N-[1-methyl-3-(1-methylidene-1-oxothian-4-yl)oxyindazol-6-yl]pyridine-2-carboxamide;N-[1-methyl-3-(oxan-4-ylmethoxy)indazol-6-yl]pyridine-2-carboxamide
CID 157735735
3-(cyclopentylmethoxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)pyrazolo[4,3-b]pyridin-6-amine;3-(2,2-dimethyloxan-4-yl)oxy-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;3-hydroxy-N-[1-methyl-3-(oxan-4-ylmethoxy)pyrazolo[4,3-b]pyridin-6-yl]pyridine-2-carboxamide;1-methyl-3-(oxan-4-ylmethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)pyrazolo[4,3-b]pyridin-6-amine;1-methyl-3-(oxan-4-ylmethoxy)-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)pyrazolo[4,3-b]pyridin-6-amine
CID 157841519
tris(3-amino-N-[3-(cyclopentylmethoxy)-1-methylindazol-6-yl]pyridine-2-carboxamide);tris(3-amino-N-[3-(cyclopentylmethoxy)-1-methylpyrazolo[4,3-b]pyridin-6-yl]pyridine-2-carboxamide);3-amino-N-[3-(1,4-dioxan-2-ylmethoxy)-1-methylindazol-6-yl]pyridine-2-carboxamide;3-amino-N-[1-methyl-3-(oxan-4-ylmethoxy)indazol-6-yl]pyridine-2-carboxamide
CID 157897233

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(cyclopentylmethoxy)-1-methylindazol-6-yl]pyridine-2-carboxamide;tris(3-amino-N-[3-(cyclopentylmethoxy)-1-methylpyrazolo[4,3-b]pyridin-6-yl]pyridine-2-carboxamide);3-amino-N-[3-(1,4-dioxan-2-ylmethoxy)-1-methylindazol-6-yl]pyridine-2-carboxamide;3-amino-N-[1-methyl-3-(oxan-4-ylmethoxy)indazol-6-yl]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-[3-(cyclopentylmethoxy)-1-methylindazol-6-yl]pyridine-2-carboxamide;tris(3-amino-N-[3-(cyclopentylmethoxy)-1-methylpyrazolo[4,3-b]pyridin-6-yl]pyridine-2-carboxamide);3-amino-N-[3-(1,4-dioxan-2-ylmethoxy)-1-methylindazol-6-yl]pyridine-2-carboxamide;3-amino-N-[1-methyl-3-(oxan-4-ylmethoxy)indazol-6-yl]pyridine-2-carboxamide (CID 158534735) is 3-amino-N-[3-(cyclopentylmethoxy)-1-methylindazol-6-yl]pyridine-2-carboxamide;tris(3-amino-N-[3-(cyclopentylmethoxy)-1-methylpyrazolo[4,3-b]pyridin-6-yl]pyridine-2-carboxamide);3-amino-N-[3-(1,4-dioxan-2-ylmethoxy)-1-methylindazol-6-yl]pyridine-2-carboxamide;3-amino-N-[1-methyl-3-(oxan-4-ylmethoxy)indazol-6-yl]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[3-(cyclopentylmethoxy)-1-methylindazol-6-yl]pyridine-2-carboxamide;tris(3-amino-N-[3-(cyclopentylmethoxy)-1-methylpyrazolo[4,3-b]pyridin-6-yl]pyridine-2-carboxamide);3-amino-N-[3-(1,4-dioxan-2-ylmethoxy)-1-methylindazol-6-yl]pyridine-2-carboxamide;3-amino-N-[1-methyl-3-(oxan-4-ylmethoxy)indazol-6-yl]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-[3-(cyclopentylmethoxy)-1-methylindazol-6-yl]pyridine-2-carboxamide;tris(3-amino-N-[3-(cyclopentylmethoxy)-1-methylpyrazolo[4,3-b]pyridin-6-yl]pyridine-2-carboxamide);3-amino-N-[3-(1,4-dioxan-2-ylmethoxy)-1-methylindazol-6-yl]pyridine-2-carboxamide;3-amino-N-[1-methyl-3-(oxan-4-ylmethoxy)indazol-6-yl]pyridine-2-carboxamide is Cn1nc(OCC2CCCC2)c2ccc(NC(=O)c3ncccc3N)cc21.Cn1nc(OCC2CCCC2)c2ncc(NC(=O)c3ncccc3N)cc21.Cn1nc(OCC2CCCC2)c2ncc(NC(=O)c3ncccc3N)cc21.Cn1nc(OCC2CCCC2)c2ncc(NC(=O)c3ncccc3N)cc21.Cn1nc(OCC2CCOCC2)c2ccc(NC(=O)c3ncccc3N)cc21.Cn1nc(OCC2COCCO2)c2ccc(NC(=O)c3ncccc3N)cc21.
What is the InChIKey of 3-amino-N-[3-(cyclopentylmethoxy)-1-methylindazol-6-yl]pyridine-2-carboxamide;tris(3-amino-N-[3-(cyclopentylmethoxy)-1-methylpyrazolo[4,3-b]pyridin-6-yl]pyridine-2-carboxamide);3-amino-N-[3-(1,4-dioxan-2-ylmethoxy)-1-methylindazol-6-yl]pyridine-2-carboxamide;3-amino-N-[1-methyl-3-(oxan-4-ylmethoxy)indazol-6-yl]pyridine-2-carboxamide?
The InChIKey is HNUNIEKQAQCMFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3.C20H23N5O2.3C19H22N6O2.C19H21N5O4/c1-25-17-11-14(23-19(26)18-16(21)3-2-8-22-18)4-5-15(17)20(24-25)28-12-13-6-9-27-10-7-13;1-25-17-11-14(23-19(26)18-16(21)7-4-10-22-18)8-9-15(17)20(24-25)27-12-13-5-2-3-6-13;3*1-25-15-9-13(23-18(26)16-14(20)7-4-8-21-16)10-22-17(15)19(24-25)27-11-12-5-2-3-6-12;1-24-16-9-12(22-18(25)17-15(20)3-2-6-21-17)4-5-14(16)19(23-24)28-11-13-10-26-7-8-27-13/h2-5,8,11,13H,6-7,9-10,12,21H2,1H3,(H,23,26);4,7-11,13H,2-3,5-6,12,21H2,1H3,(H,23,26);3*4,7-10,12H,2-3,5-6,11,20H2,1H3,(H,23,26);2-6,9,13H,7-8,10-11,20H2,1H3,(H,22,25).
What are the key properties of 3-amino-N-[3-(cyclopentylmethoxy)-1-methylindazol-6-yl]pyridine-2-carboxamide;tris(3-amino-N-[3-(cyclopentylmethoxy)-1-methylpyrazolo[4,3-b]pyridin-6-yl]pyridine-2-carboxamide);3-amino-N-[3-(1,4-dioxan-2-ylmethoxy)-1-methylindazol-6-yl]pyridine-2-carboxamide;3-amino-N-[1-methyl-3-(oxan-4-ylmethoxy)indazol-6-yl]pyridine-2-carboxamide?
3-amino-N-[3-(cyclopentylmethoxy)-1-methylindazol-6-yl]pyridine-2-carboxamide;tris(3-amino-N-[3-(cyclopentylmethoxy)-1-methylpyrazolo[4,3-b]pyridin-6-yl]pyridine-2-carboxamide);3-amino-N-[3-(1,4-dioxan-2-ylmethoxy)-1-methylindazol-6-yl]pyridine-2-carboxamide;3-amino-N-[1-methyl-3-(oxan-4-ylmethoxy)indazol-6-yl]pyridine-2-carboxamide has a molecular weight of 2229.56 g/mol, XLogP of 15.88, 30 rotatable bonds, 12 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(cyclopentylmethoxy)-1-methylindazol-6-yl]pyridine-2-carboxamide;tris(3-amino-N-[3-(cyclopentylmethoxy)-1-methylpyrazolo[4,3-b]pyridin-6-yl]pyridine-2-carboxamide);3-amino-N-[3-(1,4-dioxan-2-ylmethoxy)-1-methylindazol-6-yl]pyridine-2-carboxamide;3-amino-N-[1-methyl-3-(oxan-4-ylmethoxy)indazol-6-yl]pyridine-2-carboxamide is sourced from PubChem (CID 158534735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).