3-amino-N-[1-methyl-3-(1-methylidene-1-oxothiolan-3-yl)oxyindazol-6-yl]pyridine-2-carboxamide;N-[3-(cyclohexylmethoxy)-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[3-(cyclohexylmethoxy)-1-methylindazol-6-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[3-(cyclopentylmethoxy)-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[3-(cyclopentylmethoxy)-1-methylindazol-6-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[1-methyl-3-(1-methylidene-1-oxothiolan-3-yl)oxyindazol-6-yl]pyridine-2-carboxamide

C120H133N33O10S2 — CID 167588707

About 3-amino-N-[1-methyl-3-(1-methylidene-1-oxothiolan-3-yl)oxyindazol-6-yl]pyridine-2-carboxamide;N-[3-(cyclohexylmethoxy)-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[3-(cyclohexylmethoxy)-1-methylindazol-6-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[3-(cyclopentylmethoxy)-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[3-(cyclopentylmethoxy)-1-methylindazol-6-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[1-methyl-3-(1-methylidene-1-oxothiolan-3-yl)oxyindazol-6-yl]pyridine-2-carboxamide

3-amino-N-[1-methyl-3-(1-methylidene-1-oxothiolan-3-yl)oxyindazol-6-yl]pyridine-2-carboxamide;N-[3-(cyclohexylmethoxy)-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[3-(cyclohexylmethoxy)-1-methylindazol-6-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[3-(cyclopentylmethoxy)-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[3-(cyclopentylmethoxy)-1-methylindazol-6-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[1-methyl-3-(1-methylidene-1-oxothiolan-3-yl)oxyindazol-6-yl]pyridine-2-carboxamide (PubChem CID 167588707) has the molecular formula C120H133N33O10S2 and a molecular weight of 2261.74 g/mol. Its IUPAC name is 3-amino-N-[1-methyl-3-(1-methylidene-1-oxothiolan-3-yl)oxyindazol-6-yl]pyridine-2-carboxamide;N-[3-(cyclohexylmethoxy)-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[3-(cyclohexylmethoxy)-1-methylindazol-6-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[3-(cyclopentylmethoxy)-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[3-(cyclopentylmethoxy)-1-methylindazol-6-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[1-methyl-3-(1-methylidene-1-oxothiolan-3-yl)oxyindazol-6-yl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 3-amino-N-[1-methyl-3-(1-methylidene-1-oxothiolan-3-yl)oxyindazol-6-yl]pyridine-2-carboxamide;N-[3-(cyclohexylmethoxy)-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[3-(cyclohexylmethoxy)-1-methylindazol-6-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[3-(cyclopentylmethoxy)-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[3-(cyclopentylmethoxy)-1-methylindazol-6-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[1-methyl-3-(1-methylidene-1-oxothiolan-3-yl)oxyindazol-6-yl]pyridine-2-carboxamide
• PubChem CID: 167588707
• Molecular Formula: C120H133N33O10S2
• Molecular Weight: 2261.74 g/mol
• Exact Mass: 2260.04
• IUPAC Name: 3-amino-N-[1-methyl-3-(1-methylidene-1-oxothiolan-3-yl)oxyindazol-6-yl]pyridine-2-carboxamide;N-[3-(cyclohexylmethoxy)-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[3-(cyclohexylmethoxy)-1-methylindazol-6-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[3-(cyclopentylmethoxy)-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[3-(cyclopentylmethoxy)-1-methylindazol-6-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[1-methyl-3-(1-methylidene-1-oxothiolan-3-yl)oxyindazol-6-yl]pyridine-2-carboxamide
• SMILES: C=S1(=O)CCC(Oc2nn(C)c3cc(NC(=O)c4ccccn4)ccc23)C1.C=S1(=O)CCC(Oc2nn(C)c3cc(NC(=O)c4ncccc4N)ccc23)C1.Cn1nc(OCC2CCCC2)c2ccc(Nc3[nH]nc4ncccc34)cc21.Cn1nc(OCC2CCCC2)c2ccc(Nc3n[nH]c4cccnc34)cc21.Cn1nc(OCC2CCCCC2)c2ccc(Nc3[nH]nc4ncccc34)cc21.Cn1nc(OCC2CCCCC2)c2ccc(Nc3n[nH]c4cccnc34)cc21
• InChI: InChI=1S/2C21H24N6O.2C20H22N6O.C19H21N5O3S.C19H20N4O3S/c1-27-18-12-15(23-20-19-17(24-25-20)8-5-11-22-19)9-10-16(18)21(26-27)28-13-14-6-3-2-4-7-14;1-27-18-12-15(23-20-17-8-5-11-22-19(17)24-25-20)9-10-16(18)21(26-27)28-13-14-6-3-2-4-7-14;1-26-17-11-14(22-19-18-16(23-24-19)7-4-10-21-18)8-9-15(17)20(25-26)27-12-13-5-2-3-6-13;1-26-17-11-14(22-19-16-7-4-10-21-18(16)23-24-19)8-9-15(17)20(25-26)27-12-13-5-2-3-6-13;1-24-16-10-12(22-18(25)17-15(20)4-3-8-21-17)5-6-14(16)19(23-24)27-13-7-9-28(2,26)11-13;1-23-17-11-13(21-18(24)16-5-3-4-9-20-16)6-7-15(17)19(22-23)26-14-8-10-27(2,25)12-14/h5,8-12,14H,2-4,6-7,13H2,1H3,(H2,23,24,25);5,8-12,14H,2-4,6-7,13H2,1H3,(H2,22,23,24,25);4,7-11,13H,2-3,5-6,12H2,1H3,(H2,22,23,24);4,7-11,13H,2-3,5-6,12H2,1H3,(H2,21,22,23,24);3-6,8,10,13H,2,7,9,11,20H2,1H3,(H,22,25);3-7,9,11,14H,2,8,10,12H2,1H3,(H,21,24)
• InChIKey: IDJWALUTKCFLJF-UHFFFAOYSA-N
• XLogP: 21.17
• TPSA: 520.84 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 37
• Rotatable Bonds: 28
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2261.74
LogP ≤ 5	21.17
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-methyl-3-(1-methylidene-1-oxothiolan-3-yl)oxyindazol-6-yl]pyridine-2-carboxamide;N-[3-(cyclohexylmethoxy)-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[3-(cyclohexylmethoxy)-1-methylindazol-6-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[3-(cyclopentylmethoxy)-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[3-(cyclopentylmethoxy)-1-methylindazol-6-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[1-methyl-3-(1-methylidene-1-oxothiolan-3-yl)oxyindazol-6-yl]pyridine-2-carboxamide?

The IUPAC name of 3-amino-N-[1-methyl-3-(1-methylidene-1-oxothiolan-3-yl)oxyindazol-6-yl]pyridine-2-carboxamide;N-[3-(cyclohexylmethoxy)-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[3-(cyclohexylmethoxy)-1-methylindazol-6-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[3-(cyclopentylmethoxy)-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[3-(cyclopentylmethoxy)-1-methylindazol-6-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[1-methyl-3-(1-methylidene-1-oxothiolan-3-yl)oxyindazol-6-yl]pyridine-2-carboxamide (CID 167588707) is 3-amino-N-[1-methyl-3-(1-methylidene-1-oxothiolan-3-yl)oxyindazol-6-yl]pyridine-2-carboxamide;N-[3-(cyclohexylmethoxy)-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[3-(cyclohexylmethoxy)-1-methylindazol-6-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[3-(cyclopentylmethoxy)-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[3-(cyclopentylmethoxy)-1-methylindazol-6-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[1-methyl-3-(1-methylidene-1-oxothiolan-3-yl)oxyindazol-6-yl]pyridine-2-carboxamide.

What is the SMILES notation for 3-amino-N-[1-methyl-3-(1-methylidene-1-oxothiolan-3-yl)oxyindazol-6-yl]pyridine-2-carboxamide;N-[3-(cyclohexylmethoxy)-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[3-(cyclohexylmethoxy)-1-methylindazol-6-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[3-(cyclopentylmethoxy)-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[3-(cyclopentylmethoxy)-1-methylindazol-6-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[1-methyl-3-(1-methylidene-1-oxothiolan-3-yl)oxyindazol-6-yl]pyridine-2-carboxamide?

The canonical SMILES for 3-amino-N-[1-methyl-3-(1-methylidene-1-oxothiolan-3-yl)oxyindazol-6-yl]pyridine-2-carboxamide;N-[3-(cyclohexylmethoxy)-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[3-(cyclohexylmethoxy)-1-methylindazol-6-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[3-(cyclopentylmethoxy)-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[3-(cyclopentylmethoxy)-1-methylindazol-6-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[1-methyl-3-(1-methylidene-1-oxothiolan-3-yl)oxyindazol-6-yl]pyridine-2-carboxamide is C=S1(=O)CCC(Oc2nn(C)c3cc(NC(=O)c4ccccn4)ccc23)C1.C=S1(=O)CCC(Oc2nn(C)c3cc(NC(=O)c4ncccc4N)ccc23)C1.Cn1nc(OCC2CCCC2)c2ccc(Nc3[nH]nc4ncccc34)cc21.Cn1nc(OCC2CCCC2)c2ccc(Nc3n[nH]c4cccnc34)cc21.Cn1nc(OCC2CCCCC2)c2ccc(Nc3[nH]nc4ncccc34)cc21.Cn1nc(OCC2CCCCC2)c2ccc(Nc3n[nH]c4cccnc34)cc21.

What is the InChIKey of 3-amino-N-[1-methyl-3-(1-methylidene-1-oxothiolan-3-yl)oxyindazol-6-yl]pyridine-2-carboxamide;N-[3-(cyclohexylmethoxy)-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[3-(cyclohexylmethoxy)-1-methylindazol-6-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[3-(cyclopentylmethoxy)-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[3-(cyclopentylmethoxy)-1-methylindazol-6-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[1-methyl-3-(1-methylidene-1-oxothiolan-3-yl)oxyindazol-6-yl]pyridine-2-carboxamide?

The InChIKey is IDJWALUTKCFLJF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H24N6O.2C20H22N6O.C19H21N5O3S.C19H20N4O3S/c1-27-18-12-15(23-20-19-17(24-25-20)8-5-11-22-19)9-10-16(18)21(26-27)28-13-14-6-3-2-4-7-14;1-27-18-12-15(23-20-17-8-5-11-22-19(17)24-25-20)9-10-16(18)21(26-27)28-13-14-6-3-2-4-7-14;1-26-17-11-14(22-19-18-16(23-24-19)7-4-10-21-18)8-9-15(17)20(25-26)27-12-13-5-2-3-6-13;1-26-17-11-14(22-19-16-7-4-10-21-18(16)23-24-19)8-9-15(17)20(25-26)27-12-13-5-2-3-6-13;1-24-16-10-12(22-18(25)17-15(20)4-3-8-21-17)5-6-14(16)19(23-24)27-13-7-9-28(2,26)11-13;1-23-17-11-13(21-18(24)16-5-3-4-9-20-16)6-7-15(17)19(22-23)26-14-8-10-27(2,25)12-14/h5,8-12,14H,2-4,6-7,13H2,1H3,(H2,23,24,25);5,8-12,14H,2-4,6-7,13H2,1H3,(H2,22,23,24,25);4,7-11,13H,2-3,5-6,12H2,1H3,(H2,22,23,24);4,7-11,13H,2-3,5-6,12H2,1H3,(H2,21,22,23,24);3-6,8,10,13H,2,7,9,11,20H2,1H3,(H,22,25);3-7,9,11,14H,2,8,10,12H2,1H3,(H,21,24).

What are the key properties of 3-amino-N-[1-methyl-3-(1-methylidene-1-oxothiolan-3-yl)oxyindazol-6-yl]pyridine-2-carboxamide;N-[3-(cyclohexylmethoxy)-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[3-(cyclohexylmethoxy)-1-methylindazol-6-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[3-(cyclopentylmethoxy)-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[3-(cyclopentylmethoxy)-1-methylindazol-6-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[1-methyl-3-(1-methylidene-1-oxothiolan-3-yl)oxyindazol-6-yl]pyridine-2-carboxamide?

3-amino-N-[1-methyl-3-(1-methylidene-1-oxothiolan-3-yl)oxyindazol-6-yl]pyridine-2-carboxamide;N-[3-(cyclohexylmethoxy)-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[3-(cyclohexylmethoxy)-1-methylindazol-6-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[3-(cyclopentylmethoxy)-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[3-(cyclopentylmethoxy)-1-methylindazol-6-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[1-methyl-3-(1-methylidene-1-oxothiolan-3-yl)oxyindazol-6-yl]pyridine-2-carboxamide has a molecular weight of 2261.74 g/mol, XLogP of 21.17, 28 rotatable bonds, 11 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-N-[1-methyl-3-(1-methylidene-1-oxothiolan-3-yl)oxyindazol-6-yl]pyridine-2-carboxamide;N-[3-(cyclohexylmethoxy)-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[3-(cyclohexylmethoxy)-1-methylindazol-6-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[3-(cyclopentylmethoxy)-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[3-(cyclopentylmethoxy)-1-methylindazol-6-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[1-methyl-3-(1-methylidene-1-oxothiolan-3-yl)oxyindazol-6-yl]pyridine-2-carboxamide is sourced from PubChem (CID 167588707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).