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;5-fluoro-N-[3-[(3-fluoro-3-methylcyclobutyl)methoxy]-1-methylindazol-6-yl]pyridine-2-carboxamide

C78H82F3N17O10 — CID 158737934

About 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;5-fluoro-N-[3-[(3-fluoro-3-methylcyclobutyl)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;5-fluoro-N-[3-[(3-fluoro-3-methylcyclobutyl)methoxy]-1-methylindazol-6-yl]pyridine-2-carboxamide (PubChem CID 158737934) has the molecular formula C78H82F3N17O10 and a molecular weight of 1474.62 g/mol. Its IUPAC name is 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;5-fluoro-N-[3-[(3-fluoro-3-methylcyclobutyl)methoxy]-1-methylindazol-6-yl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 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;5-fluoro-N-[3-[(3-fluoro-3-methylcyclobutyl)methoxy]-1-methylindazol-6-yl]pyridine-2-carboxamide
• PubChem CID: 158737934
• Molecular Formula: C78H82F3N17O10
• Molecular Weight: 1474.62 g/mol
• Exact Mass: 1473.64
• IUPAC Name: 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;5-fluoro-N-[3-[(3-fluoro-3-methylcyclobutyl)methoxy]-1-methylindazol-6-yl]pyridine-2-carboxamide
• SMILES: Cn1nc(OCC2CC(C)(F)C2)c2ccc(NC(=O)c3ccc(F)cn3)cc21.Cn1nc(OCC2CCCC2)c2ccc(NC(=O)c3cccc(F)n3)cc21.Cn1nc(OC[C@H]2COCCO2)c2ccc(NC(=O)c3ncccc3N)cc21.O=C(Nc1ccc2c(OCC3CCCC3)n[nH]c2c1)c1ccccn1
• InChI: InChI=1S/C20H20F2N4O2.C20H21FN4O2.C19H21N5O4.C19H20N4O2/c1-20(22)8-12(9-20)11-28-19-15-5-4-14(7-17(15)26(2)25-19)24-18(27)16-6-3-13(21)10-23-16;1-25-17-11-14(22-19(26)16-7-4-8-18(21)23-16)9-10-15(17)20(24-25)27-12-13-5-2-3-6-13;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;24-18(16-7-3-4-10-20-16)21-14-8-9-15-17(11-14)22-23-19(15)25-12-13-5-1-2-6-13/h3-7,10,12H,8-9,11H2,1-2H3,(H,24,27);4,7-11,13H,2-3,5-6,12H2,1H3,(H,22,26);2-6,9,13H,7-8,10-11,20H2,1H3,(H,22,25);3-4,7-11,13H,1-2,5-6,12H2,(H,21,24)(H,22,23)/t;;13-;/m..1./s1
• InChIKey: ILXMTRZIAGCWPC-JYYARYETSA-N
• XLogP: 13.18
• TPSA: 331.50 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 22
• Rotatable Bonds: 20
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1474.62
LogP ≤ 5	13.18
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 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;5-fluoro-N-[3-[(3-fluoro-3-methylcyclobutyl)methoxy]-1-methylindazol-6-yl]pyridine-2-carboxamide?

The IUPAC name of 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;5-fluoro-N-[3-[(3-fluoro-3-methylcyclobutyl)methoxy]-1-methylindazol-6-yl]pyridine-2-carboxamide (CID 158737934) is 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;5-fluoro-N-[3-[(3-fluoro-3-methylcyclobutyl)methoxy]-1-methylindazol-6-yl]pyridine-2-carboxamide.

What is the SMILES notation for 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;5-fluoro-N-[3-[(3-fluoro-3-methylcyclobutyl)methoxy]-1-methylindazol-6-yl]pyridine-2-carboxamide?

The canonical SMILES for 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;5-fluoro-N-[3-[(3-fluoro-3-methylcyclobutyl)methoxy]-1-methylindazol-6-yl]pyridine-2-carboxamide is Cn1nc(OCC2CC(C)(F)C2)c2ccc(NC(=O)c3ccc(F)cn3)cc21.Cn1nc(OCC2CCCC2)c2ccc(NC(=O)c3cccc(F)n3)cc21.Cn1nc(OC[C@H]2COCCO2)c2ccc(NC(=O)c3ncccc3N)cc21.O=C(Nc1ccc2c(OCC3CCCC3)n[nH]c2c1)c1ccccn1.

What is the InChIKey of 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;5-fluoro-N-[3-[(3-fluoro-3-methylcyclobutyl)methoxy]-1-methylindazol-6-yl]pyridine-2-carboxamide?

The InChIKey is ILXMTRZIAGCWPC-JYYARYETSA-N. The full InChI is InChI=1S/C20H20F2N4O2.C20H21FN4O2.C19H21N5O4.C19H20N4O2/c1-20(22)8-12(9-20)11-28-19-15-5-4-14(7-17(15)26(2)25-19)24-18(27)16-6-3-13(21)10-23-16;1-25-17-11-14(22-19(26)16-7-4-8-18(21)23-16)9-10-15(17)20(24-25)27-12-13-5-2-3-6-13;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;24-18(16-7-3-4-10-20-16)21-14-8-9-15-17(11-14)22-23-19(15)25-12-13-5-1-2-6-13/h3-7,10,12H,8-9,11H2,1-2H3,(H,24,27);4,7-11,13H,2-3,5-6,12H2,1H3,(H,22,26);2-6,9,13H,7-8,10-11,20H2,1H3,(H,22,25);3-4,7-11,13H,1-2,5-6,12H2,(H,21,24)(H,22,23)/t;;13-;/m..1./s1.

What are the key properties of 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;5-fluoro-N-[3-[(3-fluoro-3-methylcyclobutyl)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;5-fluoro-N-[3-[(3-fluoro-3-methylcyclobutyl)methoxy]-1-methylindazol-6-yl]pyridine-2-carboxamide has a molecular weight of 1474.62 g/mol, XLogP of 13.18, 20 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 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;5-fluoro-N-[3-[(3-fluoro-3-methylcyclobutyl)methoxy]-1-methylindazol-6-yl]pyridine-2-carboxamide is sourced from PubChem (CID 158737934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).