5,7-dihydropyrrolo[3,4-b]pyridin-6-yl-[2,4-dihydroxy-6-[[1-methyl-3-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]amino]phenyl]methanone

C25H20F3N5O3 — CID 155268717

IUPAC5,7-dihydropyrrolo[3,4-b]pyridin-6-yl-[2,4-dihydroxy-6-[[1-methyl-3-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]amino]phenyl]methanone
SMILESCn1nc(-c2cccc(C(F)(F)F)c2)cc1Nc1cc(O)cc(O)c1C(=O)N1Cc2cccnc2C1
InChIInChI=1S/C25H20F3N5O3/c1-32-22(11-18(31-32)14-4-2-6-16(8-14)25(26,27)28)30-19-9-17(34)10-21(35)23(19)24(36)33-12-15-5-3-7-29-20(15)13-33/h2-11,30,34-35H,12-13H2,1H3
InChIKeyPPCUFFRDHLYLOU-UHFFFAOYSA-N
MW495.46 g/mol
LogP4.81
Rot. Bonds4

About 5,7-dihydropyrrolo[3,4-b]pyridin-6-yl-[2,4-dihydroxy-6-[[1-methyl-3-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]amino]phenyl]methanone

5,7-dihydropyrrolo[3,4-b]pyridin-6-yl-[2,4-dihydroxy-6-[[1-methyl-3-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]amino]phenyl]methanone (PubChem CID 155268717) has the molecular formula C25H20F3N5O3 and a molecular weight of 495.46 g/mol. Its IUPAC name is 5,7-dihydropyrrolo[3,4-b]pyridin-6-yl-[2,4-dihydroxy-6-[[1-methyl-3-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]amino]phenyl]methanone.

Molecular Properties

Compound Name5,7-dihydropyrrolo[3,4-b]pyridin-6-yl-[2,4-dihydroxy-6-[[1-methyl-3-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]amino]phenyl]methanone
PubChem CID155268717
Molecular FormulaC25H20F3N5O3
Molecular Weight495.46 g/mol
Exact Mass495.15
IUPAC Name5,7-dihydropyrrolo[3,4-b]pyridin-6-yl-[2,4-dihydroxy-6-[[1-methyl-3-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]amino]phenyl]methanone
SMILESCn1nc(-c2cccc(C(F)(F)F)c2)cc1Nc1cc(O)cc(O)c1C(=O)N1Cc2cccnc2C1
InChIInChI=1S/C25H20F3N5O3/c1-32-22(11-18(31-32)14-4-2-6-16(8-14)25(26,27)28)30-19-9-17(34)10-21(35)23(19)24(36)33-12-15-5-3-7-29-20(15)13-33/h2-11,30,34-35H,12-13H2,1H3
InChIKeyPPCUFFRDHLYLOU-UHFFFAOYSA-N
XLogP4.81
TPSA103.51 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.46
LogP ≤ 54.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 5,7-dihydropyrrolo[3,4-b]pyridin-6-yl-[2,4-dihydroxy-6-[[1-methyl-3-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]amino]phenyl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5,7-dihydropyrrolo[3,4-b]pyridin-6-yl-[2,4-dihydroxy-6-[[1-methyl-3-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]amino]phenyl]methanone?
The IUPAC name of 5,7-dihydropyrrolo[3,4-b]pyridin-6-yl-[2,4-dihydroxy-6-[[1-methyl-3-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]amino]phenyl]methanone (CID 155268717) is 5,7-dihydropyrrolo[3,4-b]pyridin-6-yl-[2,4-dihydroxy-6-[[1-methyl-3-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]amino]phenyl]methanone.
What is the SMILES notation for 5,7-dihydropyrrolo[3,4-b]pyridin-6-yl-[2,4-dihydroxy-6-[[1-methyl-3-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]amino]phenyl]methanone?
The canonical SMILES for 5,7-dihydropyrrolo[3,4-b]pyridin-6-yl-[2,4-dihydroxy-6-[[1-methyl-3-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]amino]phenyl]methanone is Cn1nc(-c2cccc(C(F)(F)F)c2)cc1Nc1cc(O)cc(O)c1C(=O)N1Cc2cccnc2C1.
What is the InChIKey of 5,7-dihydropyrrolo[3,4-b]pyridin-6-yl-[2,4-dihydroxy-6-[[1-methyl-3-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]amino]phenyl]methanone?
The InChIKey is PPCUFFRDHLYLOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F3N5O3/c1-32-22(11-18(31-32)14-4-2-6-16(8-14)25(26,27)28)30-19-9-17(34)10-21(35)23(19)24(36)33-12-15-5-3-7-29-20(15)13-33/h2-11,30,34-35H,12-13H2,1H3.
What are the key properties of 5,7-dihydropyrrolo[3,4-b]pyridin-6-yl-[2,4-dihydroxy-6-[[1-methyl-3-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]amino]phenyl]methanone?
5,7-dihydropyrrolo[3,4-b]pyridin-6-yl-[2,4-dihydroxy-6-[[1-methyl-3-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]amino]phenyl]methanone has a molecular weight of 495.46 g/mol, XLogP of 4.81, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dihydropyrrolo[3,4-b]pyridin-6-yl-[2,4-dihydroxy-6-[[1-methyl-3-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]amino]phenyl]methanone is sourced from PubChem (CID 155268717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).