4-(5-chloro-2-methoxyphenyl)-N-[6-[4-(difluoromethoxy)phenyl]-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-6-methylpyridine-3-carboxamide

C26H18ClF2N5O3S — CID 168984793

IUPAC4-(5-chloro-2-methoxyphenyl)-N-[6-[4-(difluoromethoxy)phenyl]-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-6-methylpyridine-3-carboxamide
SMILESCOc1ccc(Cl)cc1-c1cc(C)ncc1C(=O)Nc1nc2ncc(-c3ccc(OC(F)F)cc3)nc2s1
InChIInChI=1S/C26H18ClF2N5O3S/c1-13-9-17(18-10-15(27)5-8-21(18)36-2)19(11-30-13)23(35)34-26-33-22-24(38-26)32-20(12-31-22)14-3-6-16(7-4-14)37-25(28)29/h3-12,25H,1-2H3,(H,31,33,34,35)
InChIKeyXTBSVTPTSLTCDA-UHFFFAOYSA-N
MW553.98 g/mol
LogP6.64
Rot. Bonds7

About 4-(5-chloro-2-methoxyphenyl)-N-[6-[4-(difluoromethoxy)phenyl]-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-6-methylpyridine-3-carboxamide

4-(5-chloro-2-methoxyphenyl)-N-[6-[4-(difluoromethoxy)phenyl]-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-6-methylpyridine-3-carboxamide (PubChem CID 168984793) has the molecular formula C26H18ClF2N5O3S and a molecular weight of 553.98 g/mol. Its IUPAC name is 4-(5-chloro-2-methoxyphenyl)-N-[6-[4-(difluoromethoxy)phenyl]-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name4-(5-chloro-2-methoxyphenyl)-N-[6-[4-(difluoromethoxy)phenyl]-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-6-methylpyridine-3-carboxamide
PubChem CID168984793
Molecular FormulaC26H18ClF2N5O3S
Molecular Weight553.98 g/mol
Exact Mass553.08
IUPAC Name4-(5-chloro-2-methoxyphenyl)-N-[6-[4-(difluoromethoxy)phenyl]-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-6-methylpyridine-3-carboxamide
SMILESCOc1ccc(Cl)cc1-c1cc(C)ncc1C(=O)Nc1nc2ncc(-c3ccc(OC(F)F)cc3)nc2s1
InChIInChI=1S/C26H18ClF2N5O3S/c1-13-9-17(18-10-15(27)5-8-21(18)36-2)19(11-30-13)23(35)34-26-33-22-24(38-26)32-20(12-31-22)14-3-6-16(7-4-14)37-25(28)29/h3-12,25H,1-2H3,(H,31,33,34,35)
InChIKeyXTBSVTPTSLTCDA-UHFFFAOYSA-N
XLogP6.64
TPSA99.12 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.98
LogP ≤ 56.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-(5-chloro-2-methoxyphenyl)-N-[6-[4-(difluoromethoxy)phenyl]-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-6-methylpyridine-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-methoxyphenyl)-N-[6-[4-(difluoromethoxy)phenyl]-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-6-methylpyridine-3-carboxamide?
The IUPAC name of 4-(5-chloro-2-methoxyphenyl)-N-[6-[4-(difluoromethoxy)phenyl]-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-6-methylpyridine-3-carboxamide (CID 168984793) is 4-(5-chloro-2-methoxyphenyl)-N-[6-[4-(difluoromethoxy)phenyl]-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-6-methylpyridine-3-carboxamide.
What is the SMILES notation for 4-(5-chloro-2-methoxyphenyl)-N-[6-[4-(difluoromethoxy)phenyl]-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-6-methylpyridine-3-carboxamide?
The canonical SMILES for 4-(5-chloro-2-methoxyphenyl)-N-[6-[4-(difluoromethoxy)phenyl]-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-6-methylpyridine-3-carboxamide is COc1ccc(Cl)cc1-c1cc(C)ncc1C(=O)Nc1nc2ncc(-c3ccc(OC(F)F)cc3)nc2s1.
What is the InChIKey of 4-(5-chloro-2-methoxyphenyl)-N-[6-[4-(difluoromethoxy)phenyl]-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-6-methylpyridine-3-carboxamide?
The InChIKey is XTBSVTPTSLTCDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18ClF2N5O3S/c1-13-9-17(18-10-15(27)5-8-21(18)36-2)19(11-30-13)23(35)34-26-33-22-24(38-26)32-20(12-31-22)14-3-6-16(7-4-14)37-25(28)29/h3-12,25H,1-2H3,(H,31,33,34,35).
What are the key properties of 4-(5-chloro-2-methoxyphenyl)-N-[6-[4-(difluoromethoxy)phenyl]-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-6-methylpyridine-3-carboxamide?
4-(5-chloro-2-methoxyphenyl)-N-[6-[4-(difluoromethoxy)phenyl]-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-6-methylpyridine-3-carboxamide has a molecular weight of 553.98 g/mol, XLogP of 6.64, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-methoxyphenyl)-N-[6-[4-(difluoromethoxy)phenyl]-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 168984793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).