6-[2-[1-[5-cyclopropyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]azetidin-3-yl]acetyl]-1,3,4-trimethyl-5,7-dihydropyrrolo[3,4-b]pyridin-2-one

C22H25F3N4O2S — CID 171808552

IUPAC6-[2-[1-[5-cyclopropyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]azetidin-3-yl]acetyl]-1,3,4-trimethyl-5,7-dihydropyrrolo[3,4-b]pyridin-2-one
SMILESCc1c2c(n(C)c(=O)c1C)CN(C(=O)CC1CN(c3nc(C(F)(F)F)c(C4CC4)s3)C1)C2
InChIInChI=1S/C22H25F3N4O2S/c1-11-12(2)20(31)27(3)16-10-28(9-15(11)16)17(30)6-13-7-29(8-13)21-26-19(22(23,24)25)18(32-21)14-4-5-14/h13-14H,4-10H2,1-3H3
InChIKeyPYMLCAOIQJLHHV-UHFFFAOYSA-N
MW466.53 g/mol
LogP3.72
Rot. Bonds4

About 6-[2-[1-[5-cyclopropyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]azetidin-3-yl]acetyl]-1,3,4-trimethyl-5,7-dihydropyrrolo[3,4-b]pyridin-2-one

6-[2-[1-[5-cyclopropyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]azetidin-3-yl]acetyl]-1,3,4-trimethyl-5,7-dihydropyrrolo[3,4-b]pyridin-2-one (PubChem CID 171808552) has the molecular formula C22H25F3N4O2S and a molecular weight of 466.53 g/mol. Its IUPAC name is 6-[2-[1-[5-cyclopropyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]azetidin-3-yl]acetyl]-1,3,4-trimethyl-5,7-dihydropyrrolo[3,4-b]pyridin-2-one.

Molecular Properties

Compound Name6-[2-[1-[5-cyclopropyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]azetidin-3-yl]acetyl]-1,3,4-trimethyl-5,7-dihydropyrrolo[3,4-b]pyridin-2-one
PubChem CID171808552
Molecular FormulaC22H25F3N4O2S
Molecular Weight466.53 g/mol
Exact Mass466.17
IUPAC Name6-[2-[1-[5-cyclopropyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]azetidin-3-yl]acetyl]-1,3,4-trimethyl-5,7-dihydropyrrolo[3,4-b]pyridin-2-one
SMILESCc1c2c(n(C)c(=O)c1C)CN(C(=O)CC1CN(c3nc(C(F)(F)F)c(C4CC4)s3)C1)C2
InChIInChI=1S/C22H25F3N4O2S/c1-11-12(2)20(31)27(3)16-10-28(9-15(11)16)17(30)6-13-7-29(8-13)21-26-19(22(23,24)25)18(32-21)14-4-5-14/h13-14H,4-10H2,1-3H3
InChIKeyPYMLCAOIQJLHHV-UHFFFAOYSA-N
XLogP3.72
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.53
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-[2-[1-[5-cyclopropyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]azetidin-3-yl]acetyl]-1,3,4-trimethyl-5,7-dihydropyrrolo[3,4-b]pyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[1-[5-cyclopropyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]azetidin-3-yl]acetyl]-1,3,4-trimethyl-5,7-dihydropyrrolo[3,4-b]pyridin-2-one?
The IUPAC name of 6-[2-[1-[5-cyclopropyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]azetidin-3-yl]acetyl]-1,3,4-trimethyl-5,7-dihydropyrrolo[3,4-b]pyridin-2-one (CID 171808552) is 6-[2-[1-[5-cyclopropyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]azetidin-3-yl]acetyl]-1,3,4-trimethyl-5,7-dihydropyrrolo[3,4-b]pyridin-2-one.
What is the SMILES notation for 6-[2-[1-[5-cyclopropyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]azetidin-3-yl]acetyl]-1,3,4-trimethyl-5,7-dihydropyrrolo[3,4-b]pyridin-2-one?
The canonical SMILES for 6-[2-[1-[5-cyclopropyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]azetidin-3-yl]acetyl]-1,3,4-trimethyl-5,7-dihydropyrrolo[3,4-b]pyridin-2-one is Cc1c2c(n(C)c(=O)c1C)CN(C(=O)CC1CN(c3nc(C(F)(F)F)c(C4CC4)s3)C1)C2.
What is the InChIKey of 6-[2-[1-[5-cyclopropyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]azetidin-3-yl]acetyl]-1,3,4-trimethyl-5,7-dihydropyrrolo[3,4-b]pyridin-2-one?
The InChIKey is PYMLCAOIQJLHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3N4O2S/c1-11-12(2)20(31)27(3)16-10-28(9-15(11)16)17(30)6-13-7-29(8-13)21-26-19(22(23,24)25)18(32-21)14-4-5-14/h13-14H,4-10H2,1-3H3.
What are the key properties of 6-[2-[1-[5-cyclopropyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]azetidin-3-yl]acetyl]-1,3,4-trimethyl-5,7-dihydropyrrolo[3,4-b]pyridin-2-one?
6-[2-[1-[5-cyclopropyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]azetidin-3-yl]acetyl]-1,3,4-trimethyl-5,7-dihydropyrrolo[3,4-b]pyridin-2-one has a molecular weight of 466.53 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[1-[5-cyclopropyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]azetidin-3-yl]acetyl]-1,3,4-trimethyl-5,7-dihydropyrrolo[3,4-b]pyridin-2-one is sourced from PubChem (CID 171808552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).