ethyl N-(2-ethyloxan-4-yl)-N-[2-[methoxy(methyl)carbamoyl]-6-methyl-5-(1-methylpyrazol-4-yl)furo[3,2-b]pyridin-3-yl]carbamate

C25H33N5O6 — CID 123333267

About ethyl N-(2-ethyloxan-4-yl)-N-[2-[methoxy(methyl)carbamoyl]-6-methyl-5-(1-methylpyrazol-4-yl)furo[3,2-b]pyridin-3-yl]carbamate

ethyl N-(2-ethyloxan-4-yl)-N-[2-[methoxy(methyl)carbamoyl]-6-methyl-5-(1-methylpyrazol-4-yl)furo[3,2-b]pyridin-3-yl]carbamate (PubChem CID 123333267) has the molecular formula C25H33N5O6 and a molecular weight of 499.57 g/mol. Its IUPAC name is ethyl N-(2-ethyloxan-4-yl)-N-[2-[methoxy(methyl)carbamoyl]-6-methyl-5-(1-methylpyrazol-4-yl)furo[3,2-b]pyridin-3-yl]carbamate.

Molecular Properties

• Compound Name: ethyl N-(2-ethyloxan-4-yl)-N-[2-[methoxy(methyl)carbamoyl]-6-methyl-5-(1-methylpyrazol-4-yl)furo[3,2-b]pyridin-3-yl]carbamate
• PubChem CID: 123333267
• Molecular Formula: C25H33N5O6
• Molecular Weight: 499.57 g/mol
• Exact Mass: 499.24
• IUPAC Name: ethyl N-(2-ethyloxan-4-yl)-N-[2-[methoxy(methyl)carbamoyl]-6-methyl-5-(1-methylpyrazol-4-yl)furo[3,2-b]pyridin-3-yl]carbamate
• SMILES: CCOC(=O)N(c1c(C(=O)N(C)OC)oc2cc(C)c(-c3cnn(C)c3)nc12)C1CCOC(CC)C1
• InChI: InChI=1S/C25H33N5O6/c1-7-18-12-17(9-10-35-18)30(25(32)34-8-2)22-21-19(36-23(22)24(31)29(5)33-6)11-15(3)20(27-21)16-13-26-28(4)14-16/h11,13-14,17-18H,7-10,12H2,1-6H3
• InChIKey: QSQGYEVGPKCSPU-UHFFFAOYSA-N
• XLogP: 4.09
• TPSA: 112.16 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	499.57
LogP ≤ 5	4.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethyl N-(2-ethyloxan-4-yl)-N-[2-[methoxy(methyl)carbamoyl]-6-methyl-5-(1-methylpyrazol-4-yl)furo[3,2-b]pyridin-3-yl]carbamate?

The IUPAC name of ethyl N-(2-ethyloxan-4-yl)-N-[2-[methoxy(methyl)carbamoyl]-6-methyl-5-(1-methylpyrazol-4-yl)furo[3,2-b]pyridin-3-yl]carbamate (CID 123333267) is ethyl N-(2-ethyloxan-4-yl)-N-[2-[methoxy(methyl)carbamoyl]-6-methyl-5-(1-methylpyrazol-4-yl)furo[3,2-b]pyridin-3-yl]carbamate.

What is the SMILES notation for ethyl N-(2-ethyloxan-4-yl)-N-[2-[methoxy(methyl)carbamoyl]-6-methyl-5-(1-methylpyrazol-4-yl)furo[3,2-b]pyridin-3-yl]carbamate?

The canonical SMILES for ethyl N-(2-ethyloxan-4-yl)-N-[2-[methoxy(methyl)carbamoyl]-6-methyl-5-(1-methylpyrazol-4-yl)furo[3,2-b]pyridin-3-yl]carbamate is CCOC(=O)N(c1c(C(=O)N(C)OC)oc2cc(C)c(-c3cnn(C)c3)nc12)C1CCOC(CC)C1.

What is the InChIKey of ethyl N-(2-ethyloxan-4-yl)-N-[2-[methoxy(methyl)carbamoyl]-6-methyl-5-(1-methylpyrazol-4-yl)furo[3,2-b]pyridin-3-yl]carbamate?

The InChIKey is QSQGYEVGPKCSPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O6/c1-7-18-12-17(9-10-35-18)30(25(32)34-8-2)22-21-19(36-23(22)24(31)29(5)33-6)11-15(3)20(27-21)16-13-26-28(4)14-16/h11,13-14,17-18H,7-10,12H2,1-6H3.

What are the key properties of ethyl N-(2-ethyloxan-4-yl)-N-[2-[methoxy(methyl)carbamoyl]-6-methyl-5-(1-methylpyrazol-4-yl)furo[3,2-b]pyridin-3-yl]carbamate?

ethyl N-(2-ethyloxan-4-yl)-N-[2-[methoxy(methyl)carbamoyl]-6-methyl-5-(1-methylpyrazol-4-yl)furo[3,2-b]pyridin-3-yl]carbamate has a molecular weight of 499.57 g/mol, XLogP of 4.09, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl N-(2-ethyloxan-4-yl)-N-[2-[methoxy(methyl)carbamoyl]-6-methyl-5-(1-methylpyrazol-4-yl)furo[3,2-b]pyridin-3-yl]carbamate is sourced from PubChem (CID 123333267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).