4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-6-(4-methyl-8-oxo-4,7-diazaspiro[2.5]octan-7-yl)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide

C22H21F2N7O3S — CID 177235556

About 4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-6-(4-methyl-8-oxo-4,7-diazaspiro[2.5]octan-7-yl)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide

4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-6-(4-methyl-8-oxo-4,7-diazaspiro[2.5]octan-7-yl)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide (PubChem CID 177235556) has the molecular formula C22H21F2N7O3S and a molecular weight of 501.52 g/mol. Its IUPAC name is 4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-6-(4-methyl-8-oxo-4,7-diazaspiro[2.5]octan-7-yl)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-6-(4-methyl-8-oxo-4,7-diazaspiro[2.5]octan-7-yl)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
• PubChem CID: 177235556
• Molecular Formula: C22H21F2N7O3S
• Molecular Weight: 501.52 g/mol
• Exact Mass: 501.14
• IUPAC Name: 4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-6-(4-methyl-8-oxo-4,7-diazaspiro[2.5]octan-7-yl)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
• SMILES: COc1cnc(C(F)F)cc1-c1cc(N2CCN(C)C3(CC3)C2=O)ncc1C(=O)Nc1nncs1
• InChI: InChI=1S/C22H21F2N7O3S/c1-30-5-6-31(20(33)22(30)3-4-22)17-8-12(13-7-15(18(23)24)25-10-16(13)34-2)14(9-26-17)19(32)28-21-29-27-11-35-21/h7-11,18H,3-6H2,1-2H3,(H,28,29,32)
• InChIKey: ICIHGTMSGQCTTK-UHFFFAOYSA-N
• XLogP: 3.00
• TPSA: 113.44 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	501.52
LogP ≤ 5	3.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-6-(4-methyl-8-oxo-4,7-diazaspiro[2.5]octan-7-yl)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?

The IUPAC name of 4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-6-(4-methyl-8-oxo-4,7-diazaspiro[2.5]octan-7-yl)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide (CID 177235556) is 4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-6-(4-methyl-8-oxo-4,7-diazaspiro[2.5]octan-7-yl)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide.

What is the SMILES notation for 4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-6-(4-methyl-8-oxo-4,7-diazaspiro[2.5]octan-7-yl)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?

The canonical SMILES for 4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-6-(4-methyl-8-oxo-4,7-diazaspiro[2.5]octan-7-yl)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide is COc1cnc(C(F)F)cc1-c1cc(N2CCN(C)C3(CC3)C2=O)ncc1C(=O)Nc1nncs1.

What is the InChIKey of 4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-6-(4-methyl-8-oxo-4,7-diazaspiro[2.5]octan-7-yl)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?

The InChIKey is ICIHGTMSGQCTTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F2N7O3S/c1-30-5-6-31(20(33)22(30)3-4-22)17-8-12(13-7-15(18(23)24)25-10-16(13)34-2)14(9-26-17)19(32)28-21-29-27-11-35-21/h7-11,18H,3-6H2,1-2H3,(H,28,29,32).

What are the key properties of 4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-6-(4-methyl-8-oxo-4,7-diazaspiro[2.5]octan-7-yl)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?

4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-6-(4-methyl-8-oxo-4,7-diazaspiro[2.5]octan-7-yl)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide has a molecular weight of 501.52 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-6-(4-methyl-8-oxo-4,7-diazaspiro[2.5]octan-7-yl)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 177235556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).