6-[6-fluoro-7-[6-isocyano-5-(oxan-4-ylamino)-2-pyridinyl]furo[3,2-b]pyridin-2-yl]-N,N,5-trimethylpyridine-3-carboxamide;6-[6-fluoro-7-[6-isocyano-5-(oxan-4-yloxy)-2-pyridinyl]furo[3,2-b]pyridin-2-yl]-N,N,5-trimethylpyridine-3-carboxamide;6-[7-[6-isocyano-5-(oxan-4-yloxy)-2-pyridinyl]-6-methylfuro[3,2-b]pyridin-2-yl]-N,N,5-trimethylpyridine-3-carboxamide;6-[7-[6-isocyano-5-(oxan-4-yloxy)-2-pyridinyl]-6-propan-2-ylfuro[3,2-b]pyridin-2-yl]-N,N,5-trimethylpyridine-3-carboxamide;trihydrochloride

C112H110Cl3F2N21O15 — CID 157213238

About 6-[6-fluoro-7-[6-isocyano-5-(oxan-4-ylamino)-2-pyridinyl]furo[3,2-b]pyridin-2-yl]-N,N,5-trimethylpyridine-3-carboxamide;6-[6-fluoro-7-[6-isocyano-5-(oxan-4-yloxy)-2-pyridinyl]furo[3,2-b]pyridin-2-yl]-N,N,5-trimethylpyridine-3-carboxamide;6-[7-[6-isocyano-5-(oxan-4-yloxy)-2-pyridinyl]-6-methylfuro[3,2-b]pyridin-2-yl]-N,N,5-trimethylpyridine-3-carboxamide;6-[7-[6-isocyano-5-(oxan-4-yloxy)-2-pyridinyl]-6-propan-2-ylfuro[3,2-b]pyridin-2-yl]-N,N,5-trimethylpyridine-3-carboxamide;trihydrochloride

6-[6-fluoro-7-[6-isocyano-5-(oxan-4-ylamino)-2-pyridinyl]furo[3,2-b]pyridin-2-yl]-N,N,5-trimethylpyridine-3-carboxamide;6-[6-fluoro-7-[6-isocyano-5-(oxan-4-yloxy)-2-pyridinyl]furo[3,2-b]pyridin-2-yl]-N,N,5-trimethylpyridine-3-carboxamide;6-[7-[6-isocyano-5-(oxan-4-yloxy)-2-pyridinyl]-6-methylfuro[3,2-b]pyridin-2-yl]-N,N,5-trimethylpyridine-3-carboxamide;6-[7-[6-isocyano-5-(oxan-4-yloxy)-2-pyridinyl]-6-propan-2-ylfuro[3,2-b]pyridin-2-yl]-N,N,5-trimethylpyridine-3-carboxamide;trihydrochloride (PubChem CID 157213238) has the molecular formula C112H110Cl3F2N21O15 and a molecular weight of 2134.60 g/mol. Its IUPAC name is 6-[6-fluoro-7-[6-isocyano-5-(oxan-4-ylamino)-2-pyridinyl]furo[3,2-b]pyridin-2-yl]-N,N,5-trimethylpyridine-3-carboxamide;6-[6-fluoro-7-[6-isocyano-5-(oxan-4-yloxy)-2-pyridinyl]furo[3,2-b]pyridin-2-yl]-N,N,5-trimethylpyridine-3-carboxamide;6-[7-[6-isocyano-5-(oxan-4-yloxy)-2-pyridinyl]-6-methylfuro[3,2-b]pyridin-2-yl]-N,N,5-trimethylpyridine-3-carboxamide;6-[7-[6-isocyano-5-(oxan-4-yloxy)-2-pyridinyl]-6-propan-2-ylfuro[3,2-b]pyridin-2-yl]-N,N,5-trimethylpyridine-3-carboxamide;trihydrochloride.

Molecular Properties

• Compound Name: 6-[6-fluoro-7-[6-isocyano-5-(oxan-4-ylamino)-2-pyridinyl]furo[3,2-b]pyridin-2-yl]-N,N,5-trimethylpyridine-3-carboxamide;6-[6-fluoro-7-[6-isocyano-5-(oxan-4-yloxy)-2-pyridinyl]furo[3,2-b]pyridin-2-yl]-N,N,5-trimethylpyridine-3-carboxamide;6-[7-[6-isocyano-5-(oxan-4-yloxy)-2-pyridinyl]-6-methylfuro[3,2-b]pyridin-2-yl]-N,N,5-trimethylpyridine-3-carboxamide;6-[7-[6-isocyano-5-(oxan-4-yloxy)-2-pyridinyl]-6-propan-2-ylfuro[3,2-b]pyridin-2-yl]-N,N,5-trimethylpyridine-3-carboxamide;trihydrochloride
• PubChem CID: 157213238
• Molecular Formula: C112H110Cl3F2N21O15
• Molecular Weight: 2134.60 g/mol
• Exact Mass: 2131.75
• IUPAC Name: 6-[6-fluoro-7-[6-isocyano-5-(oxan-4-ylamino)-2-pyridinyl]furo[3,2-b]pyridin-2-yl]-N,N,5-trimethylpyridine-3-carboxamide;6-[6-fluoro-7-[6-isocyano-5-(oxan-4-yloxy)-2-pyridinyl]furo[3,2-b]pyridin-2-yl]-N,N,5-trimethylpyridine-3-carboxamide;6-[7-[6-isocyano-5-(oxan-4-yloxy)-2-pyridinyl]-6-methylfuro[3,2-b]pyridin-2-yl]-N,N,5-trimethylpyridine-3-carboxamide;6-[7-[6-isocyano-5-(oxan-4-yloxy)-2-pyridinyl]-6-propan-2-ylfuro[3,2-b]pyridin-2-yl]-N,N,5-trimethylpyridine-3-carboxamide;trihydrochloride
• SMILES: Cl.Cl.Cl.[C-]#[N+]c1nc(-c2c(C(C)C)cnc3cc(-c4ncc(C(=O)N(C)C)cc4C)oc23)ccc1OC1CCOCC1.[C-]#[N+]c1nc(-c2c(C)cnc3cc(-c4ncc(C(=O)N(C)C)cc4C)oc23)ccc1OC1CCOCC1.[C-]#[N+]c1nc(-c2c(F)cnc3cc(-c4ncc(C(=O)N(C)C)cc4C)oc23)ccc1NC1CCOCC1.[C-]#[N+]c1nc(-c2c(F)cnc3cc(-c4ncc(C(=O)N(C)C)cc4C)oc23)ccc1OC1CCOCC1
• InChI: InChI=1S/C30H31N5O4.C28H27N5O4.C27H25FN6O3.C27H24FN5O4.3ClH/c1-17(2)21-16-32-23-14-25(27-18(3)13-19(15-33-27)30(36)35(5)6)39-28(23)26(21)22-7-8-24(29(31-4)34-22)38-20-9-11-37-12-10-20;1-16-12-18(28(34)33(4)5)15-31-25(16)23-13-21-26(37-23)24(17(2)14-30-21)20-6-7-22(27(29-3)32-20)36-19-8-10-35-11-9-19;1-15-11-16(27(35)34(3)4)13-31-24(15)22-12-21-25(37-22)23(18(28)14-30-21)19-5-6-20(26(29-2)33-19)32-17-7-9-36-10-8-17;1-15-11-16(27(34)33(3)4)13-31-24(15)22-12-20-25(37-22)23(18(28)14-30-20)19-5-6-21(26(29-2)32-19)36-17-7-9-35-10-8-17;;;/h7-8,13-17,20H,9-12H2,1-3,5-6H3;6-7,12-15,19H,8-11H2,1-2,4-5H3;5-6,11-14,17,32H,7-10H2,1,3-4H3;5-6,11-14,17H,7-10H2,1,3-4H3;3*1H
• InChIKey: IFTOEOJFWJEHNQ-UHFFFAOYSA-N
• XLogP: 23.29
• TPSA: 382.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 28
• Rotatable Bonds: 21
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2134.60
LogP ≤ 5	23.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[6-fluoro-7-[6-isocyano-5-(oxan-4-ylamino)-2-pyridinyl]furo[3,2-b]pyridin-2-yl]-N,N,5-trimethylpyridine-3-carboxamide;6-[6-fluoro-7-[6-isocyano-5-(oxan-4-yloxy)-2-pyridinyl]furo[3,2-b]pyridin-2-yl]-N,N,5-trimethylpyridine-3-carboxamide;6-[7-[6-isocyano-5-(oxan-4-yloxy)-2-pyridinyl]-6-methylfuro[3,2-b]pyridin-2-yl]-N,N,5-trimethylpyridine-3-carboxamide;6-[7-[6-isocyano-5-(oxan-4-yloxy)-2-pyridinyl]-6-propan-2-ylfuro[3,2-b]pyridin-2-yl]-N,N,5-trimethylpyridine-3-carboxamide;trihydrochloride?

The IUPAC name of 6-[6-fluoro-7-[6-isocyano-5-(oxan-4-ylamino)-2-pyridinyl]furo[3,2-b]pyridin-2-yl]-N,N,5-trimethylpyridine-3-carboxamide;6-[6-fluoro-7-[6-isocyano-5-(oxan-4-yloxy)-2-pyridinyl]furo[3,2-b]pyridin-2-yl]-N,N,5-trimethylpyridine-3-carboxamide;6-[7-[6-isocyano-5-(oxan-4-yloxy)-2-pyridinyl]-6-methylfuro[3,2-b]pyridin-2-yl]-N,N,5-trimethylpyridine-3-carboxamide;6-[7-[6-isocyano-5-(oxan-4-yloxy)-2-pyridinyl]-6-propan-2-ylfuro[3,2-b]pyridin-2-yl]-N,N,5-trimethylpyridine-3-carboxamide;trihydrochloride (CID 157213238) is 6-[6-fluoro-7-[6-isocyano-5-(oxan-4-ylamino)-2-pyridinyl]furo[3,2-b]pyridin-2-yl]-N,N,5-trimethylpyridine-3-carboxamide;6-[6-fluoro-7-[6-isocyano-5-(oxan-4-yloxy)-2-pyridinyl]furo[3,2-b]pyridin-2-yl]-N,N,5-trimethylpyridine-3-carboxamide;6-[7-[6-isocyano-5-(oxan-4-yloxy)-2-pyridinyl]-6-methylfuro[3,2-b]pyridin-2-yl]-N,N,5-trimethylpyridine-3-carboxamide;6-[7-[6-isocyano-5-(oxan-4-yloxy)-2-pyridinyl]-6-propan-2-ylfuro[3,2-b]pyridin-2-yl]-N,N,5-trimethylpyridine-3-carboxamide;trihydrochloride.

What is the SMILES notation for 6-[6-fluoro-7-[6-isocyano-5-(oxan-4-ylamino)-2-pyridinyl]furo[3,2-b]pyridin-2-yl]-N,N,5-trimethylpyridine-3-carboxamide;6-[6-fluoro-7-[6-isocyano-5-(oxan-4-yloxy)-2-pyridinyl]furo[3,2-b]pyridin-2-yl]-N,N,5-trimethylpyridine-3-carboxamide;6-[7-[6-isocyano-5-(oxan-4-yloxy)-2-pyridinyl]-6-methylfuro[3,2-b]pyridin-2-yl]-N,N,5-trimethylpyridine-3-carboxamide;6-[7-[6-isocyano-5-(oxan-4-yloxy)-2-pyridinyl]-6-propan-2-ylfuro[3,2-b]pyridin-2-yl]-N,N,5-trimethylpyridine-3-carboxamide;trihydrochloride?

The canonical SMILES for 6-[6-fluoro-7-[6-isocyano-5-(oxan-4-ylamino)-2-pyridinyl]furo[3,2-b]pyridin-2-yl]-N,N,5-trimethylpyridine-3-carboxamide;6-[6-fluoro-7-[6-isocyano-5-(oxan-4-yloxy)-2-pyridinyl]furo[3,2-b]pyridin-2-yl]-N,N,5-trimethylpyridine-3-carboxamide;6-[7-[6-isocyano-5-(oxan-4-yloxy)-2-pyridinyl]-6-methylfuro[3,2-b]pyridin-2-yl]-N,N,5-trimethylpyridine-3-carboxamide;6-[7-[6-isocyano-5-(oxan-4-yloxy)-2-pyridinyl]-6-propan-2-ylfuro[3,2-b]pyridin-2-yl]-N,N,5-trimethylpyridine-3-carboxamide;trihydrochloride is Cl.Cl.Cl.[C-]#[N+]c1nc(-c2c(C(C)C)cnc3cc(-c4ncc(C(=O)N(C)C)cc4C)oc23)ccc1OC1CCOCC1.[C-]#[N+]c1nc(-c2c(C)cnc3cc(-c4ncc(C(=O)N(C)C)cc4C)oc23)ccc1OC1CCOCC1.[C-]#[N+]c1nc(-c2c(F)cnc3cc(-c4ncc(C(=O)N(C)C)cc4C)oc23)ccc1NC1CCOCC1.[C-]#[N+]c1nc(-c2c(F)cnc3cc(-c4ncc(C(=O)N(C)C)cc4C)oc23)ccc1OC1CCOCC1.

What is the InChIKey of 6-[6-fluoro-7-[6-isocyano-5-(oxan-4-ylamino)-2-pyridinyl]furo[3,2-b]pyridin-2-yl]-N,N,5-trimethylpyridine-3-carboxamide;6-[6-fluoro-7-[6-isocyano-5-(oxan-4-yloxy)-2-pyridinyl]furo[3,2-b]pyridin-2-yl]-N,N,5-trimethylpyridine-3-carboxamide;6-[7-[6-isocyano-5-(oxan-4-yloxy)-2-pyridinyl]-6-methylfuro[3,2-b]pyridin-2-yl]-N,N,5-trimethylpyridine-3-carboxamide;6-[7-[6-isocyano-5-(oxan-4-yloxy)-2-pyridinyl]-6-propan-2-ylfuro[3,2-b]pyridin-2-yl]-N,N,5-trimethylpyridine-3-carboxamide;trihydrochloride?

The InChIKey is IFTOEOJFWJEHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N5O4.C28H27N5O4.C27H25FN6O3.C27H24FN5O4.3ClH/c1-17(2)21-16-32-23-14-25(27-18(3)13-19(15-33-27)30(36)35(5)6)39-28(23)26(21)22-7-8-24(29(31-4)34-22)38-20-9-11-37-12-10-20;1-16-12-18(28(34)33(4)5)15-31-25(16)23-13-21-26(37-23)24(17(2)14-30-21)20-6-7-22(27(29-3)32-20)36-19-8-10-35-11-9-19;1-15-11-16(27(35)34(3)4)13-31-24(15)22-12-21-25(37-22)23(18(28)14-30-21)19-5-6-20(26(29-2)33-19)32-17-7-9-36-10-8-17;1-15-11-16(27(34)33(3)4)13-31-24(15)22-12-20-25(37-22)23(18(28)14-30-20)19-5-6-21(26(29-2)32-19)36-17-7-9-35-10-8-17;;;/h7-8,13-17,20H,9-12H2,1-3,5-6H3;6-7,12-15,19H,8-11H2,1-2,4-5H3;5-6,11-14,17,32H,7-10H2,1,3-4H3;5-6,11-14,17H,7-10H2,1,3-4H3;3*1H.

What are the key properties of 6-[6-fluoro-7-[6-isocyano-5-(oxan-4-ylamino)-2-pyridinyl]furo[3,2-b]pyridin-2-yl]-N,N,5-trimethylpyridine-3-carboxamide;6-[6-fluoro-7-[6-isocyano-5-(oxan-4-yloxy)-2-pyridinyl]furo[3,2-b]pyridin-2-yl]-N,N,5-trimethylpyridine-3-carboxamide;6-[7-[6-isocyano-5-(oxan-4-yloxy)-2-pyridinyl]-6-methylfuro[3,2-b]pyridin-2-yl]-N,N,5-trimethylpyridine-3-carboxamide;6-[7-[6-isocyano-5-(oxan-4-yloxy)-2-pyridinyl]-6-propan-2-ylfuro[3,2-b]pyridin-2-yl]-N,N,5-trimethylpyridine-3-carboxamide;trihydrochloride?

6-[6-fluoro-7-[6-isocyano-5-(oxan-4-ylamino)-2-pyridinyl]furo[3,2-b]pyridin-2-yl]-N,N,5-trimethylpyridine-3-carboxamide;6-[6-fluoro-7-[6-isocyano-5-(oxan-4-yloxy)-2-pyridinyl]furo[3,2-b]pyridin-2-yl]-N,N,5-trimethylpyridine-3-carboxamide;6-[7-[6-isocyano-5-(oxan-4-yloxy)-2-pyridinyl]-6-methylfuro[3,2-b]pyridin-2-yl]-N,N,5-trimethylpyridine-3-carboxamide;6-[7-[6-isocyano-5-(oxan-4-yloxy)-2-pyridinyl]-6-propan-2-ylfuro[3,2-b]pyridin-2-yl]-N,N,5-trimethylpyridine-3-carboxamide;trihydrochloride has a molecular weight of 2134.60 g/mol, XLogP of 23.29, 21 rotatable bonds, 1 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[6-fluoro-7-[6-isocyano-5-(oxan-4-ylamino)-2-pyridinyl]furo[3,2-b]pyridin-2-yl]-N,N,5-trimethylpyridine-3-carboxamide;6-[6-fluoro-7-[6-isocyano-5-(oxan-4-yloxy)-2-pyridinyl]furo[3,2-b]pyridin-2-yl]-N,N,5-trimethylpyridine-3-carboxamide;6-[7-[6-isocyano-5-(oxan-4-yloxy)-2-pyridinyl]-6-methylfuro[3,2-b]pyridin-2-yl]-N,N,5-trimethylpyridine-3-carboxamide;6-[7-[6-isocyano-5-(oxan-4-yloxy)-2-pyridinyl]-6-propan-2-ylfuro[3,2-b]pyridin-2-yl]-N,N,5-trimethylpyridine-3-carboxamide;trihydrochloride is sourced from PubChem (CID 157213238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).