3-amino-N-[1-(1,4-dioxan-2-ylmethoxy)isoquinolin-6-yl]pyridine-2-carboxamide;3-amino-N-[1-methyl-3-[2-(oxolan-3-yl)acetyl]indazol-6-yl]pyridine-2-carboxamide;N-[1-(1,4-dioxan-2-ylmethoxy)isoquinolin-6-yl]-5-fluoropyridine-2-carboxamide;N-[1-(1,4-dioxan-2-ylmethoxy)isoquinolin-6-yl]-6-fluoropyridine-2-carboxamide

C80H77F2N15O15 — CID 157385927

About 3-amino-N-[1-(1,4-dioxan-2-ylmethoxy)isoquinolin-6-yl]pyridine-2-carboxamide;3-amino-N-[1-methyl-3-[2-(oxolan-3-yl)acetyl]indazol-6-yl]pyridine-2-carboxamide;N-[1-(1,4-dioxan-2-ylmethoxy)isoquinolin-6-yl]-5-fluoropyridine-2-carboxamide;N-[1-(1,4-dioxan-2-ylmethoxy)isoquinolin-6-yl]-6-fluoropyridine-2-carboxamide

3-amino-N-[1-(1,4-dioxan-2-ylmethoxy)isoquinolin-6-yl]pyridine-2-carboxamide;3-amino-N-[1-methyl-3-[2-(oxolan-3-yl)acetyl]indazol-6-yl]pyridine-2-carboxamide;N-[1-(1,4-dioxan-2-ylmethoxy)isoquinolin-6-yl]-5-fluoropyridine-2-carboxamide;N-[1-(1,4-dioxan-2-ylmethoxy)isoquinolin-6-yl]-6-fluoropyridine-2-carboxamide (PubChem CID 157385927) has the molecular formula C80H77F2N15O15 and a molecular weight of 1526.58 g/mol. Its IUPAC name is 3-amino-N-[1-(1,4-dioxan-2-ylmethoxy)isoquinolin-6-yl]pyridine-2-carboxamide;3-amino-N-[1-methyl-3-[2-(oxolan-3-yl)acetyl]indazol-6-yl]pyridine-2-carboxamide;N-[1-(1,4-dioxan-2-ylmethoxy)isoquinolin-6-yl]-5-fluoropyridine-2-carboxamide;N-[1-(1,4-dioxan-2-ylmethoxy)isoquinolin-6-yl]-6-fluoropyridine-2-carboxamide.

Molecular Properties

• Compound Name: 3-amino-N-[1-(1,4-dioxan-2-ylmethoxy)isoquinolin-6-yl]pyridine-2-carboxamide;3-amino-N-[1-methyl-3-[2-(oxolan-3-yl)acetyl]indazol-6-yl]pyridine-2-carboxamide;N-[1-(1,4-dioxan-2-ylmethoxy)isoquinolin-6-yl]-5-fluoropyridine-2-carboxamide;N-[1-(1,4-dioxan-2-ylmethoxy)isoquinolin-6-yl]-6-fluoropyridine-2-carboxamide
• PubChem CID: 157385927
• Molecular Formula: C80H77F2N15O15
• Molecular Weight: 1526.58 g/mol
• Exact Mass: 1525.57
• IUPAC Name: 3-amino-N-[1-(1,4-dioxan-2-ylmethoxy)isoquinolin-6-yl]pyridine-2-carboxamide;3-amino-N-[1-methyl-3-[2-(oxolan-3-yl)acetyl]indazol-6-yl]pyridine-2-carboxamide;N-[1-(1,4-dioxan-2-ylmethoxy)isoquinolin-6-yl]-5-fluoropyridine-2-carboxamide;N-[1-(1,4-dioxan-2-ylmethoxy)isoquinolin-6-yl]-6-fluoropyridine-2-carboxamide
• SMILES: Cn1nc(C(=O)CC2CCOC2)c2ccc(NC(=O)c3ncccc3N)cc21.Nc1cccnc1C(=O)Nc1ccc2c(OCC3COCCO3)nccc2c1.O=C(Nc1ccc2c(OCC3COCCO3)nccc2c1)c1ccc(F)cn1.O=C(Nc1ccc2c(OCC3COCCO3)nccc2c1)c1cccc(F)n1
• InChI: InChI=1S/2C20H18FN3O4.C20H21N5O3.C20H20N4O4/c21-14-1-4-18(23-10-14)19(25)24-15-2-3-17-13(9-15)5-6-22-20(17)28-12-16-11-26-7-8-27-16;21-18-3-1-2-17(24-18)19(25)23-14-4-5-16-13(10-14)6-7-22-20(16)28-12-15-11-26-8-9-27-15;1-25-16-10-13(23-20(27)19-15(21)3-2-7-22-19)4-5-14(16)18(24-25)17(26)9-12-6-8-28-11-12;21-17-2-1-6-22-18(17)19(25)24-14-3-4-16-13(10-14)5-7-23-20(16)28-12-15-11-26-8-9-27-15/h1-6,9-10,16H,7-8,11-12H2,(H,24,25);1-7,10,15H,8-9,11-12H2,(H,23,25);2-5,7,10,12H,6,8-9,11,21H2,1H3,(H,23,27);1-7,10,15H,8-9,11-12,21H2,(H,24,25)
• InChIKey: BLKTVJKYEIEIQG-UHFFFAOYSA-N
• XLogP: 10.30
• TPSA: 385.86 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 26
• Rotatable Bonds: 20
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1526.58
LogP ≤ 5	10.30
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	26

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-[1-(1,4-dioxan-2-ylmethoxy)isoquinolin-6-yl]pyridine-2-carboxamide;3-amino-N-[1-methyl-3-[2-(oxolan-3-yl)acetyl]indazol-6-yl]pyridine-2-carboxamide;N-[1-(1,4-dioxan-2-ylmethoxy)isoquinolin-6-yl]-5-fluoropyridine-2-carboxamide;N-[1-(1,4-dioxan-2-ylmethoxy)isoquinolin-6-yl]-6-fluoropyridine-2-carboxamide?

The IUPAC name of 3-amino-N-[1-(1,4-dioxan-2-ylmethoxy)isoquinolin-6-yl]pyridine-2-carboxamide;3-amino-N-[1-methyl-3-[2-(oxolan-3-yl)acetyl]indazol-6-yl]pyridine-2-carboxamide;N-[1-(1,4-dioxan-2-ylmethoxy)isoquinolin-6-yl]-5-fluoropyridine-2-carboxamide;N-[1-(1,4-dioxan-2-ylmethoxy)isoquinolin-6-yl]-6-fluoropyridine-2-carboxamide (CID 157385927) is 3-amino-N-[1-(1,4-dioxan-2-ylmethoxy)isoquinolin-6-yl]pyridine-2-carboxamide;3-amino-N-[1-methyl-3-[2-(oxolan-3-yl)acetyl]indazol-6-yl]pyridine-2-carboxamide;N-[1-(1,4-dioxan-2-ylmethoxy)isoquinolin-6-yl]-5-fluoropyridine-2-carboxamide;N-[1-(1,4-dioxan-2-ylmethoxy)isoquinolin-6-yl]-6-fluoropyridine-2-carboxamide.

What is the SMILES notation for 3-amino-N-[1-(1,4-dioxan-2-ylmethoxy)isoquinolin-6-yl]pyridine-2-carboxamide;3-amino-N-[1-methyl-3-[2-(oxolan-3-yl)acetyl]indazol-6-yl]pyridine-2-carboxamide;N-[1-(1,4-dioxan-2-ylmethoxy)isoquinolin-6-yl]-5-fluoropyridine-2-carboxamide;N-[1-(1,4-dioxan-2-ylmethoxy)isoquinolin-6-yl]-6-fluoropyridine-2-carboxamide?

The canonical SMILES for 3-amino-N-[1-(1,4-dioxan-2-ylmethoxy)isoquinolin-6-yl]pyridine-2-carboxamide;3-amino-N-[1-methyl-3-[2-(oxolan-3-yl)acetyl]indazol-6-yl]pyridine-2-carboxamide;N-[1-(1,4-dioxan-2-ylmethoxy)isoquinolin-6-yl]-5-fluoropyridine-2-carboxamide;N-[1-(1,4-dioxan-2-ylmethoxy)isoquinolin-6-yl]-6-fluoropyridine-2-carboxamide is Cn1nc(C(=O)CC2CCOC2)c2ccc(NC(=O)c3ncccc3N)cc21.Nc1cccnc1C(=O)Nc1ccc2c(OCC3COCCO3)nccc2c1.O=C(Nc1ccc2c(OCC3COCCO3)nccc2c1)c1ccc(F)cn1.O=C(Nc1ccc2c(OCC3COCCO3)nccc2c1)c1cccc(F)n1.

What is the InChIKey of 3-amino-N-[1-(1,4-dioxan-2-ylmethoxy)isoquinolin-6-yl]pyridine-2-carboxamide;3-amino-N-[1-methyl-3-[2-(oxolan-3-yl)acetyl]indazol-6-yl]pyridine-2-carboxamide;N-[1-(1,4-dioxan-2-ylmethoxy)isoquinolin-6-yl]-5-fluoropyridine-2-carboxamide;N-[1-(1,4-dioxan-2-ylmethoxy)isoquinolin-6-yl]-6-fluoropyridine-2-carboxamide?

The InChIKey is BLKTVJKYEIEIQG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H18FN3O4.C20H21N5O3.C20H20N4O4/c21-14-1-4-18(23-10-14)19(25)24-15-2-3-17-13(9-15)5-6-22-20(17)28-12-16-11-26-7-8-27-16;21-18-3-1-2-17(24-18)19(25)23-14-4-5-16-13(10-14)6-7-22-20(16)28-12-15-11-26-8-9-27-15;1-25-16-10-13(23-20(27)19-15(21)3-2-7-22-19)4-5-14(16)18(24-25)17(26)9-12-6-8-28-11-12;21-17-2-1-6-22-18(17)19(25)24-14-3-4-16-13(10-14)5-7-23-20(16)28-12-15-11-26-8-9-27-15/h1-6,9-10,16H,7-8,11-12H2,(H,24,25);1-7,10,15H,8-9,11-12H2,(H,23,25);2-5,7,10,12H,6,8-9,11,21H2,1H3,(H,23,27);1-7,10,15H,8-9,11-12,21H2,(H,24,25).

What are the key properties of 3-amino-N-[1-(1,4-dioxan-2-ylmethoxy)isoquinolin-6-yl]pyridine-2-carboxamide;3-amino-N-[1-methyl-3-[2-(oxolan-3-yl)acetyl]indazol-6-yl]pyridine-2-carboxamide;N-[1-(1,4-dioxan-2-ylmethoxy)isoquinolin-6-yl]-5-fluoropyridine-2-carboxamide;N-[1-(1,4-dioxan-2-ylmethoxy)isoquinolin-6-yl]-6-fluoropyridine-2-carboxamide?

3-amino-N-[1-(1,4-dioxan-2-ylmethoxy)isoquinolin-6-yl]pyridine-2-carboxamide;3-amino-N-[1-methyl-3-[2-(oxolan-3-yl)acetyl]indazol-6-yl]pyridine-2-carboxamide;N-[1-(1,4-dioxan-2-ylmethoxy)isoquinolin-6-yl]-5-fluoropyridine-2-carboxamide;N-[1-(1,4-dioxan-2-ylmethoxy)isoquinolin-6-yl]-6-fluoropyridine-2-carboxamide has a molecular weight of 1526.58 g/mol, XLogP of 10.30, 20 rotatable bonds, 6 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-N-[1-(1,4-dioxan-2-ylmethoxy)isoquinolin-6-yl]pyridine-2-carboxamide;3-amino-N-[1-methyl-3-[2-(oxolan-3-yl)acetyl]indazol-6-yl]pyridine-2-carboxamide;N-[1-(1,4-dioxan-2-ylmethoxy)isoquinolin-6-yl]-5-fluoropyridine-2-carboxamide;N-[1-(1,4-dioxan-2-ylmethoxy)isoquinolin-6-yl]-6-fluoropyridine-2-carboxamide is sourced from PubChem (CID 157385927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).