1-(7-cyclopropyl-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)-3-[2-(1,1-difluoroethyl)-4-pyridinyl]propan-2-one

C20H19F2N3OS — CID 159065439

IUPAC1-(7-cyclopropyl-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)-3-[2-(1,1-difluoroethyl)-4-pyridinyl]propan-2-one
SMILESCc1nc2c(C3CC3)c(CC(=O)Cc3ccnc(C(C)(F)F)c3)cnc2s1
InChIInChI=1S/C20H19F2N3OS/c1-11-25-18-17(13-3-4-13)14(10-24-19(18)27-11)9-15(26)7-12-5-6-23-16(8-12)20(2,21)22/h5-6,8,10,13H,3-4,7,9H2,1-2H3
InChIKeySYKGRLXLGUOZIB-UHFFFAOYSA-N
MW387.46 g/mol
LogP4.74
Rot. Bonds6

About 1-(7-cyclopropyl-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)-3-[2-(1,1-difluoroethyl)-4-pyridinyl]propan-2-one

1-(7-cyclopropyl-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)-3-[2-(1,1-difluoroethyl)-4-pyridinyl]propan-2-one (PubChem CID 159065439) has the molecular formula C20H19F2N3OS and a molecular weight of 387.46 g/mol. Its IUPAC name is 1-(7-cyclopropyl-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)-3-[2-(1,1-difluoroethyl)-4-pyridinyl]propan-2-one.

Molecular Properties

Compound Name1-(7-cyclopropyl-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)-3-[2-(1,1-difluoroethyl)-4-pyridinyl]propan-2-one
PubChem CID159065439
Molecular FormulaC20H19F2N3OS
Molecular Weight387.46 g/mol
Exact Mass387.12
IUPAC Name1-(7-cyclopropyl-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)-3-[2-(1,1-difluoroethyl)-4-pyridinyl]propan-2-one
SMILESCc1nc2c(C3CC3)c(CC(=O)Cc3ccnc(C(C)(F)F)c3)cnc2s1
InChIInChI=1S/C20H19F2N3OS/c1-11-25-18-17(13-3-4-13)14(10-24-19(18)27-11)9-15(26)7-12-5-6-23-16(8-12)20(2,21)22/h5-6,8,10,13H,3-4,7,9H2,1-2H3
InChIKeySYKGRLXLGUOZIB-UHFFFAOYSA-N
XLogP4.74
TPSA55.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(7-cyclopropyl-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)-3-[2-(1,1-difluoroethyl)-4-pyridinyl]propan-2-one with MolForge

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Related Compounds

1-(7-cyclopropyl-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)-3-[5-(trifluoromethyl)-3-pyridinyl]propan-2-one
CID 160815177
CID 158907897
CID 158907897
1-[7-(1-cyclopropyl-1-methoxyethyl)-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]-3-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]propan-2-one
CID 148676969
1-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-[7-[(1R,2R)-2-(methoxymethyl)cyclopropyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]propan-2-one
CID 161182011
1-[7-(1-methoxyethyl)-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]-3-[4-(triazol-2-yl)-3-(trifluoromethyl)phenyl]propan-2-one
CID 147913204
1-[7-(2-methoxypropan-2-yl)-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]-3-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]propan-2-one
CID 159676346
1-[7-[1-(hydroxymethyl)cyclopropyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]-3-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]propan-2-one
CID 159796749
1-[3-fluoro-4-(triazol-2-yl)phenyl]-3-[7-[(1S)-1-methoxyethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]propan-2-one
CID 147044639
1-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-(7-cyclopropyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)propan-2-one
CID 153073901
2-(1,1-difluoroethyl)-N-methylpyridine-4-carboxamide
CID 177051325
1-(4-tert-butylquinolin-3-yl)-3-(2-methyl-4-pyridinyl)propan-2-one
CID 158161985
N-[4-[4-[3-[3-(1,1-difluoroethyl)-5-fluorophenyl]-2-oxopropyl]-2-methylphenoxy]-2-pyridinyl]cyclopropanecarboxamide
CID 146772421

Frequently Asked Questions

What is the IUPAC name of 1-(7-cyclopropyl-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)-3-[2-(1,1-difluoroethyl)-4-pyridinyl]propan-2-one?
The IUPAC name of 1-(7-cyclopropyl-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)-3-[2-(1,1-difluoroethyl)-4-pyridinyl]propan-2-one (CID 159065439) is 1-(7-cyclopropyl-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)-3-[2-(1,1-difluoroethyl)-4-pyridinyl]propan-2-one.
What is the SMILES notation for 1-(7-cyclopropyl-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)-3-[2-(1,1-difluoroethyl)-4-pyridinyl]propan-2-one?
The canonical SMILES for 1-(7-cyclopropyl-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)-3-[2-(1,1-difluoroethyl)-4-pyridinyl]propan-2-one is Cc1nc2c(C3CC3)c(CC(=O)Cc3ccnc(C(C)(F)F)c3)cnc2s1.
What is the InChIKey of 1-(7-cyclopropyl-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)-3-[2-(1,1-difluoroethyl)-4-pyridinyl]propan-2-one?
The InChIKey is SYKGRLXLGUOZIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N3OS/c1-11-25-18-17(13-3-4-13)14(10-24-19(18)27-11)9-15(26)7-12-5-6-23-16(8-12)20(2,21)22/h5-6,8,10,13H,3-4,7,9H2,1-2H3.
What are the key properties of 1-(7-cyclopropyl-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)-3-[2-(1,1-difluoroethyl)-4-pyridinyl]propan-2-one?
1-(7-cyclopropyl-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)-3-[2-(1,1-difluoroethyl)-4-pyridinyl]propan-2-one has a molecular weight of 387.46 g/mol, XLogP of 4.74, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-cyclopropyl-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)-3-[2-(1,1-difluoroethyl)-4-pyridinyl]propan-2-one is sourced from PubChem (CID 159065439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).