N-(5-chloro-2-pyridinyl)-5-fluoro-3-[[4-(2-oxopyrrolidin-1-yl)cyclohexanecarbonyl]amino]furo[3,2-b]pyridine-2-carboxamide

C24H23ClFN5O4 — CID 10051677

About N-(5-chloro-2-pyridinyl)-5-fluoro-3-[[4-(2-oxopyrrolidin-1-yl)cyclohexanecarbonyl]amino]furo[3,2-b]pyridine-2-carboxamide

N-(5-chloro-2-pyridinyl)-5-fluoro-3-[[4-(2-oxopyrrolidin-1-yl)cyclohexanecarbonyl]amino]furo[3,2-b]pyridine-2-carboxamide (PubChem CID 10051677) has the molecular formula C24H23ClFN5O4 and a molecular weight of 499.93 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-5-fluoro-3-[[4-(2-oxopyrrolidin-1-yl)cyclohexanecarbonyl]amino]furo[3,2-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-(5-chloro-2-pyridinyl)-5-fluoro-3-[[4-(2-oxopyrrolidin-1-yl)cyclohexanecarbonyl]amino]furo[3,2-b]pyridine-2-carboxamide
• PubChem CID: 10051677
• Molecular Formula: C24H23ClFN5O4
• Molecular Weight: 499.93 g/mol
• Exact Mass: 499.14
• IUPAC Name: N-(5-chloro-2-pyridinyl)-5-fluoro-3-[[4-(2-oxopyrrolidin-1-yl)cyclohexanecarbonyl]amino]furo[3,2-b]pyridine-2-carboxamide
• SMILES: O=C(Nc1ccc(Cl)cn1)c1oc2ccc(F)nc2c1NC(=O)C1CCC(N2CCCC2=O)CC1
• InChI: InChI=1S/C24H23ClFN5O4/c25-14-5-10-18(27-12-14)29-24(34)22-21(20-16(35-22)8-9-17(26)28-20)30-23(33)13-3-6-15(7-4-13)31-11-1-2-19(31)32/h5,8-10,12-13,15H,1-4,6-7,11H2,(H,30,33)(H,27,29,34)
• InChIKey: YXCJZFWYVIQMLG-UHFFFAOYSA-N
• XLogP: 4.39
• TPSA: 117.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	499.93
LogP ≤ 5	4.39
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-5-fluoro-3-[[4-(2-oxopyrrolidin-1-yl)cyclohexanecarbonyl]amino]furo[3,2-b]pyridine-2-carboxamide?

The IUPAC name of N-(5-chloro-2-pyridinyl)-5-fluoro-3-[[4-(2-oxopyrrolidin-1-yl)cyclohexanecarbonyl]amino]furo[3,2-b]pyridine-2-carboxamide (CID 10051677) is N-(5-chloro-2-pyridinyl)-5-fluoro-3-[[4-(2-oxopyrrolidin-1-yl)cyclohexanecarbonyl]amino]furo[3,2-b]pyridine-2-carboxamide.

What is the SMILES notation for N-(5-chloro-2-pyridinyl)-5-fluoro-3-[[4-(2-oxopyrrolidin-1-yl)cyclohexanecarbonyl]amino]furo[3,2-b]pyridine-2-carboxamide?

The canonical SMILES for N-(5-chloro-2-pyridinyl)-5-fluoro-3-[[4-(2-oxopyrrolidin-1-yl)cyclohexanecarbonyl]amino]furo[3,2-b]pyridine-2-carboxamide is O=C(Nc1ccc(Cl)cn1)c1oc2ccc(F)nc2c1NC(=O)C1CCC(N2CCCC2=O)CC1.

What is the InChIKey of N-(5-chloro-2-pyridinyl)-5-fluoro-3-[[4-(2-oxopyrrolidin-1-yl)cyclohexanecarbonyl]amino]furo[3,2-b]pyridine-2-carboxamide?

The InChIKey is YXCJZFWYVIQMLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClFN5O4/c25-14-5-10-18(27-12-14)29-24(34)22-21(20-16(35-22)8-9-17(26)28-20)30-23(33)13-3-6-15(7-4-13)31-11-1-2-19(31)32/h5,8-10,12-13,15H,1-4,6-7,11H2,(H,30,33)(H,27,29,34).

What are the key properties of N-(5-chloro-2-pyridinyl)-5-fluoro-3-[[4-(2-oxopyrrolidin-1-yl)cyclohexanecarbonyl]amino]furo[3,2-b]pyridine-2-carboxamide?

N-(5-chloro-2-pyridinyl)-5-fluoro-3-[[4-(2-oxopyrrolidin-1-yl)cyclohexanecarbonyl]amino]furo[3,2-b]pyridine-2-carboxamide has a molecular weight of 499.93 g/mol, XLogP of 4.39, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-chloro-2-pyridinyl)-5-fluoro-3-[[4-(2-oxopyrrolidin-1-yl)cyclohexanecarbonyl]amino]furo[3,2-b]pyridine-2-carboxamide is sourced from PubChem (CID 10051677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).