N-[4-(3-cyanophenyl)-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-1,3-thiazol-2-yl]-9-methyl-6-oxa-2,9-diazaspiro[4.5]decane-2-carboxamide

C26H26F2N6O2S — CID 162688062

IUPACN-[4-(3-cyanophenyl)-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-1,3-thiazol-2-yl]-9-methyl-6-oxa-2,9-diazaspiro[4.5]decane-2-carboxamide
SMILESCc1cc(-c2sc(NC(=O)N3CCC4(CN(C)CCO4)C3)nc2-c2cccc(C#N)c2)cc(C(F)F)n1
InChIInChI=1S/C26H26F2N6O2S/c1-16-10-19(12-20(30-16)23(27)28)22-21(18-5-3-4-17(11-18)13-29)31-24(37-22)32-25(35)34-7-6-26(15-34)14-33(2)8-9-36-26/h3-5,10-12,23H,6-9,14-15H2,1-2H3,(H,31,32,35)
InChIKeyDCQBRBWYOSPSKX-UHFFFAOYSA-N
MW524.60 g/mol
LogP4.93
Rot. Bonds4

About N-[4-(3-cyanophenyl)-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-1,3-thiazol-2-yl]-9-methyl-6-oxa-2,9-diazaspiro[4.5]decane-2-carboxamide

N-[4-(3-cyanophenyl)-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-1,3-thiazol-2-yl]-9-methyl-6-oxa-2,9-diazaspiro[4.5]decane-2-carboxamide (PubChem CID 162688062) has the molecular formula C26H26F2N6O2S and a molecular weight of 524.60 g/mol. Its IUPAC name is N-[4-(3-cyanophenyl)-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-1,3-thiazol-2-yl]-9-methyl-6-oxa-2,9-diazaspiro[4.5]decane-2-carboxamide.

Molecular Properties

Compound NameN-[4-(3-cyanophenyl)-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-1,3-thiazol-2-yl]-9-methyl-6-oxa-2,9-diazaspiro[4.5]decane-2-carboxamide
PubChem CID162688062
Molecular FormulaC26H26F2N6O2S
Molecular Weight524.60 g/mol
Exact Mass524.18
IUPAC NameN-[4-(3-cyanophenyl)-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-1,3-thiazol-2-yl]-9-methyl-6-oxa-2,9-diazaspiro[4.5]decane-2-carboxamide
SMILESCc1cc(-c2sc(NC(=O)N3CCC4(CN(C)CCO4)C3)nc2-c2cccc(C#N)c2)cc(C(F)F)n1
InChIInChI=1S/C26H26F2N6O2S/c1-16-10-19(12-20(30-16)23(27)28)22-21(18-5-3-4-17(11-18)13-29)31-24(37-22)32-25(35)34-7-6-26(15-34)14-33(2)8-9-36-26/h3-5,10-12,23H,6-9,14-15H2,1-2H3,(H,31,32,35)
InChIKeyDCQBRBWYOSPSKX-UHFFFAOYSA-N
XLogP4.93
TPSA94.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.60
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[4-(3-cyanophenyl)-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-1,3-thiazol-2-yl]-9-methyl-6-oxa-2,9-diazaspiro[4.5]decane-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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 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
US20230293517, Example 6.99
CID 162688331

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]-9-methyl-6-oxa-2,9-diazaspiro[4.5]decane-2-carboxamide?
The IUPAC name of N-[4-(3-cyanophenyl)-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-1,3-thiazol-2-yl]-9-methyl-6-oxa-2,9-diazaspiro[4.5]decane-2-carboxamide (CID 162688062) is N-[4-(3-cyanophenyl)-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-1,3-thiazol-2-yl]-9-methyl-6-oxa-2,9-diazaspiro[4.5]decane-2-carboxamide.
What is the SMILES notation for N-[4-(3-cyanophenyl)-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-1,3-thiazol-2-yl]-9-methyl-6-oxa-2,9-diazaspiro[4.5]decane-2-carboxamide?
The canonical SMILES for N-[4-(3-cyanophenyl)-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-1,3-thiazol-2-yl]-9-methyl-6-oxa-2,9-diazaspiro[4.5]decane-2-carboxamide is Cc1cc(-c2sc(NC(=O)N3CCC4(CN(C)CCO4)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]-9-methyl-6-oxa-2,9-diazaspiro[4.5]decane-2-carboxamide?
The InChIKey is DCQBRBWYOSPSKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F2N6O2S/c1-16-10-19(12-20(30-16)23(27)28)22-21(18-5-3-4-17(11-18)13-29)31-24(37-22)32-25(35)34-7-6-26(15-34)14-33(2)8-9-36-26/h3-5,10-12,23H,6-9,14-15H2,1-2H3,(H,31,32,35).
What are the key properties of N-[4-(3-cyanophenyl)-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-1,3-thiazol-2-yl]-9-methyl-6-oxa-2,9-diazaspiro[4.5]decane-2-carboxamide?
N-[4-(3-cyanophenyl)-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-1,3-thiazol-2-yl]-9-methyl-6-oxa-2,9-diazaspiro[4.5]decane-2-carboxamide has a molecular weight of 524.60 g/mol, XLogP of 4.93, 4 rotatable bonds, 1 hydrogen bond donors, and 7 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]-9-methyl-6-oxa-2,9-diazaspiro[4.5]decane-2-carboxamide is sourced from PubChem (CID 162688062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).