4-methyl-6-[2-[1-[2-(trifluoromethyl)-4-pyridinyl]azetidin-3-yl]acetyl]-5,7-dihydro-1H-pyrrolo[3,4-b]pyridin-2-one

C19H19F3N4O2 — CID 171808532

IUPAC4-methyl-6-[2-[1-[2-(trifluoromethyl)-4-pyridinyl]azetidin-3-yl]acetyl]-5,7-dihydro-1H-pyrrolo[3,4-b]pyridin-2-one
SMILESCc1cc(=O)[nH]c2c1CN(C(=O)CC1CN(c3ccnc(C(F)(F)F)c3)C1)C2
InChIInChI=1S/C19H19F3N4O2/c1-11-4-17(27)24-15-10-26(9-14(11)15)18(28)5-12-7-25(8-12)13-2-3-23-16(6-13)19(20,21)22/h2-4,6,12H,5,7-10H2,1H3,(H,24,27)
InChIKeyMGCOETSPZHHVQU-UHFFFAOYSA-N
MW392.38 g/mol
LogP2.47
Rot. Bonds3

About 4-methyl-6-[2-[1-[2-(trifluoromethyl)-4-pyridinyl]azetidin-3-yl]acetyl]-5,7-dihydro-1H-pyrrolo[3,4-b]pyridin-2-one

4-methyl-6-[2-[1-[2-(trifluoromethyl)-4-pyridinyl]azetidin-3-yl]acetyl]-5,7-dihydro-1H-pyrrolo[3,4-b]pyridin-2-one (PubChem CID 171808532) has the molecular formula C19H19F3N4O2 and a molecular weight of 392.38 g/mol. Its IUPAC name is 4-methyl-6-[2-[1-[2-(trifluoromethyl)-4-pyridinyl]azetidin-3-yl]acetyl]-5,7-dihydro-1H-pyrrolo[3,4-b]pyridin-2-one.

Molecular Properties

Compound Name4-methyl-6-[2-[1-[2-(trifluoromethyl)-4-pyridinyl]azetidin-3-yl]acetyl]-5,7-dihydro-1H-pyrrolo[3,4-b]pyridin-2-one
PubChem CID171808532
Molecular FormulaC19H19F3N4O2
Molecular Weight392.38 g/mol
Exact Mass392.15
IUPAC Name4-methyl-6-[2-[1-[2-(trifluoromethyl)-4-pyridinyl]azetidin-3-yl]acetyl]-5,7-dihydro-1H-pyrrolo[3,4-b]pyridin-2-one
SMILESCc1cc(=O)[nH]c2c1CN(C(=O)CC1CN(c3ccnc(C(F)(F)F)c3)C1)C2
InChIInChI=1S/C19H19F3N4O2/c1-11-4-17(27)24-15-10-26(9-14(11)15)18(28)5-12-7-25(8-12)13-2-3-23-16(6-13)19(20,21)22/h2-4,6,12H,5,7-10H2,1H3,(H,24,27)
InChIKeyMGCOETSPZHHVQU-UHFFFAOYSA-N
XLogP2.47
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.38
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,3,4-trimethyl-6-[2-[1-[2-(trifluoromethyl)-4-pyridinyl]azetidin-3-yl]acetyl]-5,7-dihydropyrrolo[3,4-b]pyridin-2-one
CID 171808656
1-[2-(methoxymethyl)-4-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]-2-[1-[2-(trifluoromethyl)-4-pyridinyl]azetidin-3-yl]ethanone
CID 140830624
6-[2-[1-[2-(1,1-difluoroethyl)-4-pyridinyl]azetidin-3-yl]acetyl]-1,4-dimethyl-5,7-dihydropyrrolo[3,4-b]pyridin-2-one
CID 171808466
1-(2-cyclopropyl-4-methoxy-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-[1-[2-(trifluoromethyl)-4-pyridinyl]azetidin-3-yl]ethanone
CID 171808818
1-(2,4-dimethyl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2-[1-[2-(trifluoromethyl)-4-pyridinyl]azetidin-3-yl]ethanethione
CID 176901095
1-pyridin-2-yl-2-[1-[2-(trifluoromethyl)-4-pyridinyl]azetidin-3-yl]ethanone
CID 175711179
1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-[1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]ethanone
CID 172891519
2-[1-(2-bromo-4-pyridinyl)azetidin-3-yl]-1-(2,4-dimethyl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)ethanone
CID 172578132
1-(2,4-dimethyl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2-[1-(2-methoxy-4-pyridinyl)azetidin-3-yl]ethanone
CID 140830554
1-(2-chloro-4-methyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-[1-(2-fluoro-4-pyridinyl)azetidin-3-yl]ethanone
CID 176943887
1-[4-(azetidin-1-yl)-2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-[1-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]azetidin-3-yl]ethanone
CID 177061232
1-[4-(azetidin-1-yl)-2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-[1-[2-(difluoromethyl)-4-pyridinyl]azetidin-3-yl]ethanone
CID 177061194

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-[2-[1-[2-(trifluoromethyl)-4-pyridinyl]azetidin-3-yl]acetyl]-5,7-dihydro-1H-pyrrolo[3,4-b]pyridin-2-one?
The IUPAC name of 4-methyl-6-[2-[1-[2-(trifluoromethyl)-4-pyridinyl]azetidin-3-yl]acetyl]-5,7-dihydro-1H-pyrrolo[3,4-b]pyridin-2-one (CID 171808532) is 4-methyl-6-[2-[1-[2-(trifluoromethyl)-4-pyridinyl]azetidin-3-yl]acetyl]-5,7-dihydro-1H-pyrrolo[3,4-b]pyridin-2-one.
What is the SMILES notation for 4-methyl-6-[2-[1-[2-(trifluoromethyl)-4-pyridinyl]azetidin-3-yl]acetyl]-5,7-dihydro-1H-pyrrolo[3,4-b]pyridin-2-one?
The canonical SMILES for 4-methyl-6-[2-[1-[2-(trifluoromethyl)-4-pyridinyl]azetidin-3-yl]acetyl]-5,7-dihydro-1H-pyrrolo[3,4-b]pyridin-2-one is Cc1cc(=O)[nH]c2c1CN(C(=O)CC1CN(c3ccnc(C(F)(F)F)c3)C1)C2.
What is the InChIKey of 4-methyl-6-[2-[1-[2-(trifluoromethyl)-4-pyridinyl]azetidin-3-yl]acetyl]-5,7-dihydro-1H-pyrrolo[3,4-b]pyridin-2-one?
The InChIKey is MGCOETSPZHHVQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4O2/c1-11-4-17(27)24-15-10-26(9-14(11)15)18(28)5-12-7-25(8-12)13-2-3-23-16(6-13)19(20,21)22/h2-4,6,12H,5,7-10H2,1H3,(H,24,27).
What are the key properties of 4-methyl-6-[2-[1-[2-(trifluoromethyl)-4-pyridinyl]azetidin-3-yl]acetyl]-5,7-dihydro-1H-pyrrolo[3,4-b]pyridin-2-one?
4-methyl-6-[2-[1-[2-(trifluoromethyl)-4-pyridinyl]azetidin-3-yl]acetyl]-5,7-dihydro-1H-pyrrolo[3,4-b]pyridin-2-one has a molecular weight of 392.38 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-[2-[1-[2-(trifluoromethyl)-4-pyridinyl]azetidin-3-yl]acetyl]-5,7-dihydro-1H-pyrrolo[3,4-b]pyridin-2-one is sourced from PubChem (CID 171808532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).