N-[4-(3-cyanophenyl)-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-1,3-thiazol-2-yl]-2-oxa-6-azaspiro[3.3]heptane-6-carboxamide

C23H19F2N5O2S — CID 162688422

IUPACN-[4-(3-cyanophenyl)-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-1,3-thiazol-2-yl]-2-oxa-6-azaspiro[3.3]heptane-6-carboxamide
SMILESCc1cc(-c2sc(NC(=O)N3CC4(COC4)C3)nc2-c2cccc(C#N)c2)cc(C(F)F)n1
InChIInChI=1S/C23H19F2N5O2S/c1-13-5-16(7-17(27-13)20(24)25)19-18(15-4-2-3-14(6-15)8-26)28-21(33-19)29-22(31)30-9-23(10-30)11-32-12-23/h2-7,20H,9-12H2,1H3,(H,28,29,31)
InChIKeyDEDLIQAJULJXFL-UHFFFAOYSA-N
MW467.50 g/mol
LogP4.85
Rot. Bonds4

About N-[4-(3-cyanophenyl)-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-1,3-thiazol-2-yl]-2-oxa-6-azaspiro[3.3]heptane-6-carboxamide

N-[4-(3-cyanophenyl)-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-1,3-thiazol-2-yl]-2-oxa-6-azaspiro[3.3]heptane-6-carboxamide (PubChem CID 162688422) has the molecular formula C23H19F2N5O2S and a molecular weight of 467.50 g/mol. Its IUPAC name is N-[4-(3-cyanophenyl)-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-1,3-thiazol-2-yl]-2-oxa-6-azaspiro[3.3]heptane-6-carboxamide.

Molecular Properties

Compound NameN-[4-(3-cyanophenyl)-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-1,3-thiazol-2-yl]-2-oxa-6-azaspiro[3.3]heptane-6-carboxamide
PubChem CID162688422
Molecular FormulaC23H19F2N5O2S
Molecular Weight467.50 g/mol
Exact Mass467.12
IUPAC NameN-[4-(3-cyanophenyl)-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-1,3-thiazol-2-yl]-2-oxa-6-azaspiro[3.3]heptane-6-carboxamide
SMILESCc1cc(-c2sc(NC(=O)N3CC4(COC4)C3)nc2-c2cccc(C#N)c2)cc(C(F)F)n1
InChIInChI=1S/C23H19F2N5O2S/c1-13-5-16(7-17(27-13)20(24)25)19-18(15-4-2-3-14(6-15)8-26)28-21(33-19)29-22(31)30-9-23(10-30)11-32-12-23/h2-7,20H,9-12H2,1H3,(H,28,29,31)
InChIKeyDEDLIQAJULJXFL-UHFFFAOYSA-N
XLogP4.85
TPSA91.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.50
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-(3-cyanophenyl)-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-1,3-thiazol-2-yl]-2-oxa-6-azaspiro[3.3]heptane-6-carboxamide with MolForge

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Related Compounds

US20230293517, Example 6.108
CID 162688052
US20230293517, Example 6.66
CID 162688073
US20230293517, Example 6.68
CID 162688075
US20230293517, Example 16.6
CID 162688084
US20230293517, Example 26
CID 162688105
US20230293517, Example 6.19
CID 162688108
US20230293517, Example 16.2
CID 162688111
US20230293517, Example 4.7
CID 162688141
US20230293517, Example 6.67
CID 162688223
US20230293517, Example 13.13
CID 162688260
US20230293517, Example 6.69
CID 162688268
US20230293517, Example 16.1
CID 162688302

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-cyanophenyl)-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-1,3-thiazol-2-yl]-2-oxa-6-azaspiro[3.3]heptane-6-carboxamide?
The IUPAC name of N-[4-(3-cyanophenyl)-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-1,3-thiazol-2-yl]-2-oxa-6-azaspiro[3.3]heptane-6-carboxamide (CID 162688422) is N-[4-(3-cyanophenyl)-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-1,3-thiazol-2-yl]-2-oxa-6-azaspiro[3.3]heptane-6-carboxamide.
What is the SMILES notation for N-[4-(3-cyanophenyl)-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-1,3-thiazol-2-yl]-2-oxa-6-azaspiro[3.3]heptane-6-carboxamide?
The canonical SMILES for N-[4-(3-cyanophenyl)-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-1,3-thiazol-2-yl]-2-oxa-6-azaspiro[3.3]heptane-6-carboxamide is Cc1cc(-c2sc(NC(=O)N3CC4(COC4)C3)nc2-c2cccc(C#N)c2)cc(C(F)F)n1.
What is the InChIKey of N-[4-(3-cyanophenyl)-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-1,3-thiazol-2-yl]-2-oxa-6-azaspiro[3.3]heptane-6-carboxamide?
The InChIKey is DEDLIQAJULJXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F2N5O2S/c1-13-5-16(7-17(27-13)20(24)25)19-18(15-4-2-3-14(6-15)8-26)28-21(33-19)29-22(31)30-9-23(10-30)11-32-12-23/h2-7,20H,9-12H2,1H3,(H,28,29,31).
What are the key properties of N-[4-(3-cyanophenyl)-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-1,3-thiazol-2-yl]-2-oxa-6-azaspiro[3.3]heptane-6-carboxamide?
N-[4-(3-cyanophenyl)-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-1,3-thiazol-2-yl]-2-oxa-6-azaspiro[3.3]heptane-6-carboxamide has a molecular weight of 467.50 g/mol, XLogP of 4.85, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-cyanophenyl)-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-1,3-thiazol-2-yl]-2-oxa-6-azaspiro[3.3]heptane-6-carboxamide is sourced from PubChem (CID 162688422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).