6-(5-cyclopropyl-2-pyridinyl)-2-[4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-6-methyl-3-pyridinyl]-[1,3]thiazolo[4,5-b]pyrazine

C26H20F2N6OS — CID 177238222

IUPAC6-(5-cyclopropyl-2-pyridinyl)-2-[4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-6-methyl-3-pyridinyl]-[1,3]thiazolo[4,5-b]pyrazine
SMILESCOc1cnc(C(F)F)cc1-c1cc(C)ncc1-c1nc2ncc(-c3ccc(C4CC4)cn3)nc2s1
InChIInChI=1S/C26H20F2N6OS/c1-13-7-16(17-8-20(23(27)28)31-12-22(17)35-2)18(10-29-13)25-34-24-26(36-25)33-21(11-32-24)19-6-5-15(9-30-19)14-3-4-14/h5-12,14,23H,3-4H2,1-2H3
InChIKeyWDFZHLMSNRSKFD-UHFFFAOYSA-N
MW502.55 g/mol
LogP6.40
Rot. Bonds6

About 6-(5-cyclopropyl-2-pyridinyl)-2-[4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-6-methyl-3-pyridinyl]-[1,3]thiazolo[4,5-b]pyrazine

6-(5-cyclopropyl-2-pyridinyl)-2-[4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-6-methyl-3-pyridinyl]-[1,3]thiazolo[4,5-b]pyrazine (PubChem CID 177238222) has the molecular formula C26H20F2N6OS and a molecular weight of 502.55 g/mol. Its IUPAC name is 6-(5-cyclopropyl-2-pyridinyl)-2-[4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-6-methyl-3-pyridinyl]-[1,3]thiazolo[4,5-b]pyrazine.

Molecular Properties

Compound Name6-(5-cyclopropyl-2-pyridinyl)-2-[4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-6-methyl-3-pyridinyl]-[1,3]thiazolo[4,5-b]pyrazine
PubChem CID177238222
Molecular FormulaC26H20F2N6OS
Molecular Weight502.55 g/mol
Exact Mass502.14
IUPAC Name6-(5-cyclopropyl-2-pyridinyl)-2-[4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-6-methyl-3-pyridinyl]-[1,3]thiazolo[4,5-b]pyrazine
SMILESCOc1cnc(C(F)F)cc1-c1cc(C)ncc1-c1nc2ncc(-c3ccc(C4CC4)cn3)nc2s1
InChIInChI=1S/C26H20F2N6OS/c1-13-7-16(17-8-20(23(27)28)31-12-22(17)35-2)18(10-29-13)25-34-24-26(36-25)33-21(11-32-24)19-6-5-15(9-30-19)14-3-4-14/h5-12,14,23H,3-4H2,1-2H3
InChIKeyWDFZHLMSNRSKFD-UHFFFAOYSA-N
XLogP6.40
TPSA86.57 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.55
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(5-cyclopropyl-2-pyridinyl)-2-[4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-6-methyl-3-pyridinyl]-[1,3]thiazolo[4,5-b]pyrazine?
The IUPAC name of 6-(5-cyclopropyl-2-pyridinyl)-2-[4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-6-methyl-3-pyridinyl]-[1,3]thiazolo[4,5-b]pyrazine (CID 177238222) is 6-(5-cyclopropyl-2-pyridinyl)-2-[4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-6-methyl-3-pyridinyl]-[1,3]thiazolo[4,5-b]pyrazine.
What is the SMILES notation for 6-(5-cyclopropyl-2-pyridinyl)-2-[4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-6-methyl-3-pyridinyl]-[1,3]thiazolo[4,5-b]pyrazine?
The canonical SMILES for 6-(5-cyclopropyl-2-pyridinyl)-2-[4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-6-methyl-3-pyridinyl]-[1,3]thiazolo[4,5-b]pyrazine is COc1cnc(C(F)F)cc1-c1cc(C)ncc1-c1nc2ncc(-c3ccc(C4CC4)cn3)nc2s1.
What is the InChIKey of 6-(5-cyclopropyl-2-pyridinyl)-2-[4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-6-methyl-3-pyridinyl]-[1,3]thiazolo[4,5-b]pyrazine?
The InChIKey is WDFZHLMSNRSKFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F2N6OS/c1-13-7-16(17-8-20(23(27)28)31-12-22(17)35-2)18(10-29-13)25-34-24-26(36-25)33-21(11-32-24)19-6-5-15(9-30-19)14-3-4-14/h5-12,14,23H,3-4H2,1-2H3.
What are the key properties of 6-(5-cyclopropyl-2-pyridinyl)-2-[4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-6-methyl-3-pyridinyl]-[1,3]thiazolo[4,5-b]pyrazine?
6-(5-cyclopropyl-2-pyridinyl)-2-[4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-6-methyl-3-pyridinyl]-[1,3]thiazolo[4,5-b]pyrazine has a molecular weight of 502.55 g/mol, XLogP of 6.40, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-cyclopropyl-2-pyridinyl)-2-[4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-6-methyl-3-pyridinyl]-[1,3]thiazolo[4,5-b]pyrazine is sourced from PubChem (CID 177238222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).