N-[6-[5-(difluoromethoxy)-2-pyridinyl]-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-4-(5-methoxy-2-methyl-4-pyridinyl)-6-methylpyridine-3-carboxamide

C25H19F2N7O3S — CID 168984912

IUPACN-[6-[5-(difluoromethoxy)-2-pyridinyl]-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-4-(5-methoxy-2-methyl-4-pyridinyl)-6-methylpyridine-3-carboxamide
SMILESCOc1cnc(C)cc1-c1cc(C)ncc1C(=O)Nc1nc2ncc(-c3ccc(OC(F)F)cn3)nc2s1
InChIInChI=1S/C25H19F2N7O3S/c1-12-6-15(16-7-13(2)29-11-20(16)36-3)17(9-28-12)22(35)34-25-33-21-23(38-25)32-19(10-31-21)18-5-4-14(8-30-18)37-24(26)27/h4-11,24H,1-3H3,(H,31,33,34,35)
InChIKeyBTKJSRZRRFCJAX-UHFFFAOYSA-N
MW535.54 g/mol
LogP5.08
Rot. Bonds7

About N-[6-[5-(difluoromethoxy)-2-pyridinyl]-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-4-(5-methoxy-2-methyl-4-pyridinyl)-6-methylpyridine-3-carboxamide

N-[6-[5-(difluoromethoxy)-2-pyridinyl]-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-4-(5-methoxy-2-methyl-4-pyridinyl)-6-methylpyridine-3-carboxamide (PubChem CID 168984912) has the molecular formula C25H19F2N7O3S and a molecular weight of 535.54 g/mol. Its IUPAC name is N-[6-[5-(difluoromethoxy)-2-pyridinyl]-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-4-(5-methoxy-2-methyl-4-pyridinyl)-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[6-[5-(difluoromethoxy)-2-pyridinyl]-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-4-(5-methoxy-2-methyl-4-pyridinyl)-6-methylpyridine-3-carboxamide
PubChem CID168984912
Molecular FormulaC25H19F2N7O3S
Molecular Weight535.54 g/mol
Exact Mass535.12
IUPAC NameN-[6-[5-(difluoromethoxy)-2-pyridinyl]-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-4-(5-methoxy-2-methyl-4-pyridinyl)-6-methylpyridine-3-carboxamide
SMILESCOc1cnc(C)cc1-c1cc(C)ncc1C(=O)Nc1nc2ncc(-c3ccc(OC(F)F)cn3)nc2s1
InChIInChI=1S/C25H19F2N7O3S/c1-12-6-15(16-7-13(2)29-11-20(16)36-3)17(9-28-12)22(35)34-25-33-21-23(38-25)32-19(10-31-21)18-5-4-14(8-30-18)37-24(26)27/h4-11,24H,1-3H3,(H,31,33,34,35)
InChIKeyBTKJSRZRRFCJAX-UHFFFAOYSA-N
XLogP5.08
TPSA124.90 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.54
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze N-[6-[5-(difluoromethoxy)-2-pyridinyl]-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-4-(5-methoxy-2-methyl-4-pyridinyl)-6-methylpyridine-3-carboxamide with MolForge

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Related Compounds

CID 71819416
CID 71819416
CID 168176185
CID 168176185
CID 168176513
CID 168176513
CID 168176675
CID 168176675
CID 168176755
CID 168176755
CID 168176992
CID 168176992
CID 168984784
CID 168984784
CID 168984793
CID 168984793
CID 168984799
CID 168984799
CID 168984803
CID 168984803
CID 168984826
CID 168984826
CID 168984843
CID 168984843

Frequently Asked Questions

What is the IUPAC name of N-[6-[5-(difluoromethoxy)-2-pyridinyl]-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-4-(5-methoxy-2-methyl-4-pyridinyl)-6-methylpyridine-3-carboxamide?
The IUPAC name of N-[6-[5-(difluoromethoxy)-2-pyridinyl]-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-4-(5-methoxy-2-methyl-4-pyridinyl)-6-methylpyridine-3-carboxamide (CID 168984912) is N-[6-[5-(difluoromethoxy)-2-pyridinyl]-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-4-(5-methoxy-2-methyl-4-pyridinyl)-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[6-[5-(difluoromethoxy)-2-pyridinyl]-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-4-(5-methoxy-2-methyl-4-pyridinyl)-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-[6-[5-(difluoromethoxy)-2-pyridinyl]-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-4-(5-methoxy-2-methyl-4-pyridinyl)-6-methylpyridine-3-carboxamide is COc1cnc(C)cc1-c1cc(C)ncc1C(=O)Nc1nc2ncc(-c3ccc(OC(F)F)cn3)nc2s1.
What is the InChIKey of N-[6-[5-(difluoromethoxy)-2-pyridinyl]-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-4-(5-methoxy-2-methyl-4-pyridinyl)-6-methylpyridine-3-carboxamide?
The InChIKey is BTKJSRZRRFCJAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F2N7O3S/c1-12-6-15(16-7-13(2)29-11-20(16)36-3)17(9-28-12)22(35)34-25-33-21-23(38-25)32-19(10-31-21)18-5-4-14(8-30-18)37-24(26)27/h4-11,24H,1-3H3,(H,31,33,34,35).
What are the key properties of N-[6-[5-(difluoromethoxy)-2-pyridinyl]-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-4-(5-methoxy-2-methyl-4-pyridinyl)-6-methylpyridine-3-carboxamide?
N-[6-[5-(difluoromethoxy)-2-pyridinyl]-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-4-(5-methoxy-2-methyl-4-pyridinyl)-6-methylpyridine-3-carboxamide has a molecular weight of 535.54 g/mol, XLogP of 5.08, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[5-(difluoromethoxy)-2-pyridinyl]-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-4-(5-methoxy-2-methyl-4-pyridinyl)-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 168984912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).