6-[6-cyclopropyl-7-[6-isocyano-5-(oxan-4-yloxy)-2-pyridinyl]furo[3,2-b]pyridin-2-yl]-N-(2-hydroxyethyl)-N,5-dimethylpyridine-3-carboxamide;N-(2-hydroxyethyl)-5-[7-[6-isocyano-5-(oxan-4-yloxy)-2-pyridinyl]furo[3,2-b]pyridin-2-yl]-N,4-dimethylpyridine-2-carboxamide;N-(2-hydroxyethyl)-6-[7-[6-isocyano-5-(oxan-4-yloxy)-2-pyridinyl]-6-methylfuro[3,2-b]pyridin-2-yl]-N,5-dimethylpyridine-3-carboxamide;6-[7-[6-isocyano-5-(oxan-4-ylamino)-2-pyridinyl]-6-propan-2-ylfuro[3,2-b]pyridin-2-yl]-N,N,5-trimethylpyridine-3-carboxamide;hydrochloride
C118H120ClN21O18 — CID 158217975
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC6-[6-cyclopropyl-7-[6-isocyano-5-(oxan-4-yloxy)-2-pyridinyl]furo[3,2-b]pyridin-2-yl]-N-(2-hydroxyethyl)-N,5-dimethylpyridine-3-carboxamide;N-(2-hydroxyethyl)-5-[7-[6-isocyano-5-(oxan-4-yloxy)-2-pyridinyl]furo[3,2-b]pyridin-2-yl]-N,4-dimethylpyridine-2-carboxamide;N-(2-hydroxyethyl)-6-[7-[6-isocyano-5-(oxan-4-yloxy)-2-pyridinyl]-6-methylfuro[3,2-b]pyridin-2-yl]-N,5-dimethylpyridine-3-carboxamide;6-[7-[6-isocyano-5-(oxan-4-ylamino)-2-pyridinyl]-6-propan-2-ylfuro[3,2-b]pyridin-2-yl]-N,N,5-trimethylpyridine-3-carboxamide;hydrochloride
SMILESCl.[C-]#[N+]c1nc(-c2c(C(C)C)cnc3cc(-c4ncc(C(=O)N(C)C)cc4C)oc23)ccc1NC1CCOCC1.[C-]#[N+]c1nc(-c2c(C)cnc3cc(-c4ncc(C(=O)N(C)CCO)cc4C)oc23)ccc1OC1CCOCC1.[C-]#[N+]c1nc(-c2c(C3CC3)cnc3cc(-c4ncc(C(=O)N(C)CCO)cc4C)oc23)ccc1OC1CCOCC1.[C-]#[N+]c1nc(-c2ccnc3cc(-c4cnc(C(=O)N(C)CCO)cc4C)oc23)ccc1OC1CCOCC1
InChIInChI=1S/C31H31N5O5.C30H32N6O3.C29H29N5O5.C28H27N5O5.ClH/c1-18-14-20(31(38)36(3)10-11-37)16-34-28(18)26-15-24-29(41-26)27(22(17-33-24)19-4-5-19)23-6-7-25(30(32-2)35-23)40-21-8-12-39-13-9-21;1-17(2)21-16-32-24-14-25(27-18(3)13-19(15-33-27)30(37)36(5)6)39-28(24)26(21)22-7-8-23(29(31-4)35-22)34-20-9-11-38-12-10-20;1-17-13-19(29(36)34(4)9-10-35)16-32-26(17)24-14-22-27(39-24)25(18(2)15-31-22)21-5-6-23(28(30-3)33-21)38-20-7-11-37-12-8-20;1-17-14-23(28(35)33(3)10-11-34)31-16-20(17)25-15-22-26(38-25)19(6-9-30-22)21-4-5-24(27(29-2)32-21)37-18-7-12-36-13-8-18;/h6-7,14-17,19,21,37H,4-5,8-13H2,1,3H3;7-8,13-17,20,34H,9-12H2,1-3,5-6H3;5-6,13-16,20,35H,7-12H2,1-2,4H3;4-6,9,14-16,18,34H,7-8,10-13H2,1,3H3;1H
InChIKeyUYHUNVSNLYUSQR-UHFFFAOYSA-N
MW2155.84 g/mol
LogP21.13
Rot. Bonds28
About 6-[6-cyclopropyl-7-[6-isocyano-5-(oxan-4-yloxy)-2-pyridinyl]furo[3,2-b]pyridin-2-yl]-N-(2-hydroxyethyl)-N,5-dimethylpyridine-3-carboxamide;N-(2-hydroxyethyl)-5-[7-[6-isocyano-5-(oxan-4-yloxy)-2-pyridinyl]furo[3,2-b]pyridin-2-yl]-N,4-dimethylpyridine-2-carboxamide;N-(2-hydroxyethyl)-6-[7-[6-isocyano-5-(oxan-4-yloxy)-2-pyridinyl]-6-methylfuro[3,2-b]pyridin-2-yl]-N,5-dimethylpyridine-3-carboxamide;6-[7-[6-isocyano-5-(oxan-4-ylamino)-2-pyridinyl]-6-propan-2-ylfuro[3,2-b]pyridin-2-yl]-N,N,5-trimethylpyridine-3-carboxamide;hydrochloride
6-[6-cyclopropyl-7-[6-isocyano-5-(oxan-4-yloxy)-2-pyridinyl]furo[3,2-b]pyridin-2-yl]-N-(2-hydroxyethyl)-N,5-dimethylpyridine-3-carboxamide;N-(2-hydroxyethyl)-5-[7-[6-isocyano-5-(oxan-4-yloxy)-2-pyridinyl]furo[3,2-b]pyridin-2-yl]-N,4-dimethylpyridine-2-carboxamide;N-(2-hydroxyethyl)-6-[7-[6-isocyano-5-(oxan-4-yloxy)-2-pyridinyl]-6-methylfuro[3,2-b]pyridin-2-yl]-N,5-dimethylpyridine-3-carboxamide;6-[7-[6-isocyano-5-(oxan-4-ylamino)-2-pyridinyl]-6-propan-2-ylfuro[3,2-b]pyridin-2-yl]-N,N,5-trimethylpyridine-3-carboxamide;hydrochloride (PubChem CID 158217975) has the molecular formula C118H120ClN21O18 and a molecular weight of 2155.84 g/mol. Its IUPAC name is 6-[6-cyclopropyl-7-[6-isocyano-5-(oxan-4-yloxy)-2-pyridinyl]furo[3,2-b]pyridin-2-yl]-N-(2-hydroxyethyl)-N,5-dimethylpyridine-3-carboxamide;N-(2-hydroxyethyl)-5-[7-[6-isocyano-5-(oxan-4-yloxy)-2-pyridinyl]furo[3,2-b]pyridin-2-yl]-N,4-dimethylpyridine-2-carboxamide;N-(2-hydroxyethyl)-6-[7-[6-isocyano-5-(oxan-4-yloxy)-2-pyridinyl]-6-methylfuro[3,2-b]pyridin-2-yl]-N,5-dimethylpyridine-3-carboxamide;6-[7-[6-isocyano-5-(oxan-4-ylamino)-2-pyridinyl]-6-propan-2-ylfuro[3,2-b]pyridin-2-yl]-N,N,5-trimethylpyridine-3-carboxamide;hydrochloride.
Molecular Properties
| Compound Name | 6-[6-cyclopropyl-7-[6-isocyano-5-(oxan-4-yloxy)-2-pyridinyl]furo[3,2-b]pyridin-2-yl]-N-(2-hydroxyethyl)-N,5-dimethylpyridine-3-carboxamide;N-(2-hydroxyethyl)-5-[7-[6-isocyano-5-(oxan-4-yloxy)-2-pyridinyl]furo[3,2-b]pyridin-2-yl]-N,4-dimethylpyridine-2-carboxamide;N-(2-hydroxyethyl)-6-[7-[6-isocyano-5-(oxan-4-yloxy)-2-pyridinyl]-6-methylfuro[3,2-b]pyridin-2-yl]-N,5-dimethylpyridine-3-carboxamide;6-[7-[6-isocyano-5-(oxan-4-ylamino)-2-pyridinyl]-6-propan-2-ylfuro[3,2-b]pyridin-2-yl]-N,N,5-trimethylpyridine-3-carboxamide;hydrochloride |
|---|---|
| PubChem CID | 158217975 |
| Molecular Formula | C118H120ClN21O18 |
| Molecular Weight | 2155.84 g/mol |
| Exact Mass | 2153.88 |
| IUPAC Name | 6-[6-cyclopropyl-7-[6-isocyano-5-(oxan-4-yloxy)-2-pyridinyl]furo[3,2-b]pyridin-2-yl]-N-(2-hydroxyethyl)-N,5-dimethylpyridine-3-carboxamide;N-(2-hydroxyethyl)-5-[7-[6-isocyano-5-(oxan-4-yloxy)-2-pyridinyl]furo[3,2-b]pyridin-2-yl]-N,4-dimethylpyridine-2-carboxamide;N-(2-hydroxyethyl)-6-[7-[6-isocyano-5-(oxan-4-yloxy)-2-pyridinyl]-6-methylfuro[3,2-b]pyridin-2-yl]-N,5-dimethylpyridine-3-carboxamide;6-[7-[6-isocyano-5-(oxan-4-ylamino)-2-pyridinyl]-6-propan-2-ylfuro[3,2-b]pyridin-2-yl]-N,N,5-trimethylpyridine-3-carboxamide;hydrochloride |
| SMILES | Cl.[C-]#[N+]c1nc(-c2c(C(C)C)cnc3cc(-c4ncc(C(=O)N(C)C)cc4C)oc23)ccc1NC1CCOCC1.[C-]#[N+]c1nc(-c2c(C)cnc3cc(-c4ncc(C(=O)N(C)CCO)cc4C)oc23)ccc1OC1CCOCC1.[C-]#[N+]c1nc(-c2c(C3CC3)cnc3cc(-c4ncc(C(=O)N(C)CCO)cc4C)oc23)ccc1OC1CCOCC1.[C-]#[N+]c1nc(-c2ccnc3cc(-c4cnc(C(=O)N(C)CCO)cc4C)oc23)ccc1OC1CCOCC1 |
| InChI | InChI=1S/C31H31N5O5.C30H32N6O3.C29H29N5O5.C28H27N5O5.ClH/c1-18-14-20(31(38)36(3)10-11-37)16-34-28(18)26-15-24-29(41-26)27(22(17-33-24)19-4-5-19)23-6-7-25(30(32-2)35-23)40-21-8-12-39-13-9-21;1-17(2)21-16-32-24-14-25(27-18(3)13-19(15-33-27)30(37)36(5)6)39-28(24)26(21)22-7-8-23(29(31-4)35-22)34-20-9-11-38-12-10-20;1-17-13-19(29(36)34(4)9-10-35)16-32-26(17)24-14-22-27(39-24)25(18(2)15-31-22)21-5-6-23(28(30-3)33-21)38-20-7-11-37-12-8-20;1-17-14-23(28(35)33(3)10-11-34)31-16-20(17)25-15-22-26(38-25)19(6-9-30-22)21-4-5-24(27(29-2)32-21)37-18-7-12-36-13-8-18;/h6-7,14-17,19,21,37H,4-5,8-13H2,1,3H3;7-8,13-17,20,34H,9-12H2,1-3,5-6H3;5-6,13-16,20,35H,7-12H2,1-2,4H3;4-6,9,14-16,18,34H,7-8,10-13H2,1,3H3;1H |
| InChIKey | UYHUNVSNLYUSQR-UHFFFAOYSA-N |
| XLogP | 21.13 |
| TPSA | 443.25 Ų |
| H-Bond Donors | 4 |
| H-Bond Acceptors | 31 |
| Rotatable Bonds | 28 |
| Heavy Atoms | 158 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2155.84 |
| LogP ≤ 5 | 21.13 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 31 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'} |
|---|
Frequently Asked Questions
What is the IUPAC name of 6-[6-cyclopropyl-7-[6-isocyano-5-(oxan-4-yloxy)-2-pyridinyl]furo[3,2-b]pyridin-2-yl]-N-(2-hydroxyethyl)-N,5-dimethylpyridine-3-carboxamide;N-(2-hydroxyethyl)-5-[7-[6-isocyano-5-(oxan-4-yloxy)-2-pyridinyl]furo[3,2-b]pyridin-2-yl]-N,4-dimethylpyridine-2-carboxamide;N-(2-hydroxyethyl)-6-[7-[6-isocyano-5-(oxan-4-yloxy)-2-pyridinyl]-6-methylfuro[3,2-b]pyridin-2-yl]-N,5-dimethylpyridine-3-carboxamide;6-[7-[6-isocyano-5-(oxan-4-ylamino)-2-pyridinyl]-6-propan-2-ylfuro[3,2-b]pyridin-2-yl]-N,N,5-trimethylpyridine-3-carboxamide;hydrochloride?
The IUPAC name of 6-[6-cyclopropyl-7-[6-isocyano-5-(oxan-4-yloxy)-2-pyridinyl]furo[3,2-b]pyridin-2-yl]-N-(2-hydroxyethyl)-N,5-dimethylpyridine-3-carboxamide;N-(2-hydroxyethyl)-5-[7-[6-isocyano-5-(oxan-4-yloxy)-2-pyridinyl]furo[3,2-b]pyridin-2-yl]-N,4-dimethylpyridine-2-carboxamide;N-(2-hydroxyethyl)-6-[7-[6-isocyano-5-(oxan-4-yloxy)-2-pyridinyl]-6-methylfuro[3,2-b]pyridin-2-yl]-N,5-dimethylpyridine-3-carboxamide;6-[7-[6-isocyano-5-(oxan-4-ylamino)-2-pyridinyl]-6-propan-2-ylfuro[3,2-b]pyridin-2-yl]-N,N,5-trimethylpyridine-3-carboxamide;hydrochloride (CID 158217975) is 6-[6-cyclopropyl-7-[6-isocyano-5-(oxan-4-yloxy)-2-pyridinyl]furo[3,2-b]pyridin-2-yl]-N-(2-hydroxyethyl)-N,5-dimethylpyridine-3-carboxamide;N-(2-hydroxyethyl)-5-[7-[6-isocyano-5-(oxan-4-yloxy)-2-pyridinyl]furo[3,2-b]pyridin-2-yl]-N,4-dimethylpyridine-2-carboxamide;N-(2-hydroxyethyl)-6-[7-[6-isocyano-5-(oxan-4-yloxy)-2-pyridinyl]-6-methylfuro[3,2-b]pyridin-2-yl]-N,5-dimethylpyridine-3-carboxamide;6-[7-[6-isocyano-5-(oxan-4-ylamino)-2-pyridinyl]-6-propan-2-ylfuro[3,2-b]pyridin-2-yl]-N,N,5-trimethylpyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for 6-[6-cyclopropyl-7-[6-isocyano-5-(oxan-4-yloxy)-2-pyridinyl]furo[3,2-b]pyridin-2-yl]-N-(2-hydroxyethyl)-N,5-dimethylpyridine-3-carboxamide;N-(2-hydroxyethyl)-5-[7-[6-isocyano-5-(oxan-4-yloxy)-2-pyridinyl]furo[3,2-b]pyridin-2-yl]-N,4-dimethylpyridine-2-carboxamide;N-(2-hydroxyethyl)-6-[7-[6-isocyano-5-(oxan-4-yloxy)-2-pyridinyl]-6-methylfuro[3,2-b]pyridin-2-yl]-N,5-dimethylpyridine-3-carboxamide;6-[7-[6-isocyano-5-(oxan-4-ylamino)-2-pyridinyl]-6-propan-2-ylfuro[3,2-b]pyridin-2-yl]-N,N,5-trimethylpyridine-3-carboxamide;hydrochloride?
The canonical SMILES for 6-[6-cyclopropyl-7-[6-isocyano-5-(oxan-4-yloxy)-2-pyridinyl]furo[3,2-b]pyridin-2-yl]-N-(2-hydroxyethyl)-N,5-dimethylpyridine-3-carboxamide;N-(2-hydroxyethyl)-5-[7-[6-isocyano-5-(oxan-4-yloxy)-2-pyridinyl]furo[3,2-b]pyridin-2-yl]-N,4-dimethylpyridine-2-carboxamide;N-(2-hydroxyethyl)-6-[7-[6-isocyano-5-(oxan-4-yloxy)-2-pyridinyl]-6-methylfuro[3,2-b]pyridin-2-yl]-N,5-dimethylpyridine-3-carboxamide;6-[7-[6-isocyano-5-(oxan-4-ylamino)-2-pyridinyl]-6-propan-2-ylfuro[3,2-b]pyridin-2-yl]-N,N,5-trimethylpyridine-3-carboxamide;hydrochloride is Cl.[C-]#[N+]c1nc(-c2c(C(C)C)cnc3cc(-c4ncc(C(=O)N(C)C)cc4C)oc23)ccc1NC1CCOCC1.[C-]#[N+]c1nc(-c2c(C)cnc3cc(-c4ncc(C(=O)N(C)CCO)cc4C)oc23)ccc1OC1CCOCC1.[C-]#[N+]c1nc(-c2c(C3CC3)cnc3cc(-c4ncc(C(=O)N(C)CCO)cc4C)oc23)ccc1OC1CCOCC1.[C-]#[N+]c1nc(-c2ccnc3cc(-c4cnc(C(=O)N(C)CCO)cc4C)oc23)ccc1OC1CCOCC1.
What is the InChIKey of 6-[6-cyclopropyl-7-[6-isocyano-5-(oxan-4-yloxy)-2-pyridinyl]furo[3,2-b]pyridin-2-yl]-N-(2-hydroxyethyl)-N,5-dimethylpyridine-3-carboxamide;N-(2-hydroxyethyl)-5-[7-[6-isocyano-5-(oxan-4-yloxy)-2-pyridinyl]furo[3,2-b]pyridin-2-yl]-N,4-dimethylpyridine-2-carboxamide;N-(2-hydroxyethyl)-6-[7-[6-isocyano-5-(oxan-4-yloxy)-2-pyridinyl]-6-methylfuro[3,2-b]pyridin-2-yl]-N,5-dimethylpyridine-3-carboxamide;6-[7-[6-isocyano-5-(oxan-4-ylamino)-2-pyridinyl]-6-propan-2-ylfuro[3,2-b]pyridin-2-yl]-N,N,5-trimethylpyridine-3-carboxamide;hydrochloride?
The InChIKey is UYHUNVSNLYUSQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31N5O5.C30H32N6O3.C29H29N5O5.C28H27N5O5.ClH/c1-18-14-20(31(38)36(3)10-11-37)16-34-28(18)26-15-24-29(41-26)27(22(17-33-24)19-4-5-19)23-6-7-25(30(32-2)35-23)40-21-8-12-39-13-9-21;1-17(2)21-16-32-24-14-25(27-18(3)13-19(15-33-27)30(37)36(5)6)39-28(24)26(21)22-7-8-23(29(31-4)35-22)34-20-9-11-38-12-10-20;1-17-13-19(29(36)34(4)9-10-35)16-32-26(17)24-14-22-27(39-24)25(18(2)15-31-22)21-5-6-23(28(30-3)33-21)38-20-7-11-37-12-8-20;1-17-14-23(28(35)33(3)10-11-34)31-16-20(17)25-15-22-26(38-25)19(6-9-30-22)21-4-5-24(27(29-2)32-21)37-18-7-12-36-13-8-18;/h6-7,14-17,19,21,37H,4-5,8-13H2,1,3H3;7-8,13-17,20,34H,9-12H2,1-3,5-6H3;5-6,13-16,20,35H,7-12H2,1-2,4H3;4-6,9,14-16,18,34H,7-8,10-13H2,1,3H3;1H.
What are the key properties of 6-[6-cyclopropyl-7-[6-isocyano-5-(oxan-4-yloxy)-2-pyridinyl]furo[3,2-b]pyridin-2-yl]-N-(2-hydroxyethyl)-N,5-dimethylpyridine-3-carboxamide;N-(2-hydroxyethyl)-5-[7-[6-isocyano-5-(oxan-4-yloxy)-2-pyridinyl]furo[3,2-b]pyridin-2-yl]-N,4-dimethylpyridine-2-carboxamide;N-(2-hydroxyethyl)-6-[7-[6-isocyano-5-(oxan-4-yloxy)-2-pyridinyl]-6-methylfuro[3,2-b]pyridin-2-yl]-N,5-dimethylpyridine-3-carboxamide;6-[7-[6-isocyano-5-(oxan-4-ylamino)-2-pyridinyl]-6-propan-2-ylfuro[3,2-b]pyridin-2-yl]-N,N,5-trimethylpyridine-3-carboxamide;hydrochloride?
6-[6-cyclopropyl-7-[6-isocyano-5-(oxan-4-yloxy)-2-pyridinyl]furo[3,2-b]pyridin-2-yl]-N-(2-hydroxyethyl)-N,5-dimethylpyridine-3-carboxamide;N-(2-hydroxyethyl)-5-[7-[6-isocyano-5-(oxan-4-yloxy)-2-pyridinyl]furo[3,2-b]pyridin-2-yl]-N,4-dimethylpyridine-2-carboxamide;N-(2-hydroxyethyl)-6-[7-[6-isocyano-5-(oxan-4-yloxy)-2-pyridinyl]-6-methylfuro[3,2-b]pyridin-2-yl]-N,5-dimethylpyridine-3-carboxamide;6-[7-[6-isocyano-5-(oxan-4-ylamino)-2-pyridinyl]-6-propan-2-ylfuro[3,2-b]pyridin-2-yl]-N,N,5-trimethylpyridine-3-carboxamide;hydrochloride has a molecular weight of 2155.84 g/mol, XLogP of 21.13, 28 rotatable bonds, 4 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-cyclopropyl-7-[6-isocyano-5-(oxan-4-yloxy)-2-pyridinyl]furo[3,2-b]pyridin-2-yl]-N-(2-hydroxyethyl)-N,5-dimethylpyridine-3-carboxamide;N-(2-hydroxyethyl)-5-[7-[6-isocyano-5-(oxan-4-yloxy)-2-pyridinyl]furo[3,2-b]pyridin-2-yl]-N,4-dimethylpyridine-2-carboxamide;N-(2-hydroxyethyl)-6-[7-[6-isocyano-5-(oxan-4-yloxy)-2-pyridinyl]-6-methylfuro[3,2-b]pyridin-2-yl]-N,5-dimethylpyridine-3-carboxamide;6-[7-[6-isocyano-5-(oxan-4-ylamino)-2-pyridinyl]-6-propan-2-ylfuro[3,2-b]pyridin-2-yl]-N,N,5-trimethylpyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 158217975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 158217975 — identifiers, structure, computed properties (public domain)
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