6-(difluoromethyl)-2-[2-[6-(dimethylamino)-3-pyridinyl]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2,2,2-trifluoroacetic acid

C22H20F5N5O3 — CID 162070360

IUPAC6-(difluoromethyl)-2-[2-[6-(dimethylamino)-3-pyridinyl]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2,2,2-trifluoroacetic acid
SMILESCN(C)c1ccc(-c2cc(-c3cc4c([nH]3)CC(C(F)F)NC4=O)ccn2)cn1.O=C(O)C(F)(F)F
InChIInChI=1S/C20H19F2N5O.C2HF3O2/c1-27(2)18-4-3-12(10-24-18)14-7-11(5-6-23-14)15-8-13-16(25-15)9-17(19(21)22)26-20(13)28;3-2(4,5)1(6)7/h3-8,10,17,19,25H,9H2,1-2H3,(H,26,28);(H,6,7)
InChIKeyAAJRHBXCUJBSGL-UHFFFAOYSA-N
MW497.42 g/mol
LogP3.76
Rot. Bonds4

About 6-(difluoromethyl)-2-[2-[6-(dimethylamino)-3-pyridinyl]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2,2,2-trifluoroacetic acid

6-(difluoromethyl)-2-[2-[6-(dimethylamino)-3-pyridinyl]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2,2,2-trifluoroacetic acid (PubChem CID 162070360) has the molecular formula C22H20F5N5O3 and a molecular weight of 497.42 g/mol. Its IUPAC name is 6-(difluoromethyl)-2-[2-[6-(dimethylamino)-3-pyridinyl]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name6-(difluoromethyl)-2-[2-[6-(dimethylamino)-3-pyridinyl]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2,2,2-trifluoroacetic acid
PubChem CID162070360
Molecular FormulaC22H20F5N5O3
Molecular Weight497.42 g/mol
Exact Mass497.15
IUPAC Name6-(difluoromethyl)-2-[2-[6-(dimethylamino)-3-pyridinyl]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2,2,2-trifluoroacetic acid
SMILESCN(C)c1ccc(-c2cc(-c3cc4c([nH]3)CC(C(F)F)NC4=O)ccn2)cn1.O=C(O)C(F)(F)F
InChIInChI=1S/C20H19F2N5O.C2HF3O2/c1-27(2)18-4-3-12(10-24-18)14-7-11(5-6-23-14)15-8-13-16(25-15)9-17(19(21)22)26-20(13)28;3-2(4,5)1(6)7/h3-8,10,17,19,25H,9H2,1-2H3,(H,26,28);(H,6,7)
InChIKeyAAJRHBXCUJBSGL-UHFFFAOYSA-N
XLogP3.76
TPSA111.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.42
LogP ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 6-(difluoromethyl)-2-[2-[6-(dimethylamino)-3-pyridinyl]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-2-[2-[6-(dimethylamino)-3-pyridinyl]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2,2,2-trifluoroacetic acid?
The IUPAC name of 6-(difluoromethyl)-2-[2-[6-(dimethylamino)-3-pyridinyl]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2,2,2-trifluoroacetic acid (CID 162070360) is 6-(difluoromethyl)-2-[2-[6-(dimethylamino)-3-pyridinyl]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 6-(difluoromethyl)-2-[2-[6-(dimethylamino)-3-pyridinyl]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2,2,2-trifluoroacetic acid?
The canonical SMILES for 6-(difluoromethyl)-2-[2-[6-(dimethylamino)-3-pyridinyl]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2,2,2-trifluoroacetic acid is CN(C)c1ccc(-c2cc(-c3cc4c([nH]3)CC(C(F)F)NC4=O)ccn2)cn1.O=C(O)C(F)(F)F.
What is the InChIKey of 6-(difluoromethyl)-2-[2-[6-(dimethylamino)-3-pyridinyl]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2,2,2-trifluoroacetic acid?
The InChIKey is AAJRHBXCUJBSGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N5O.C2HF3O2/c1-27(2)18-4-3-12(10-24-18)14-7-11(5-6-23-14)15-8-13-16(25-15)9-17(19(21)22)26-20(13)28;3-2(4,5)1(6)7/h3-8,10,17,19,25H,9H2,1-2H3,(H,26,28);(H,6,7).
What are the key properties of 6-(difluoromethyl)-2-[2-[6-(dimethylamino)-3-pyridinyl]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2,2,2-trifluoroacetic acid?
6-(difluoromethyl)-2-[2-[6-(dimethylamino)-3-pyridinyl]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2,2,2-trifluoroacetic acid has a molecular weight of 497.42 g/mol, XLogP of 3.76, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-2-[2-[6-(dimethylamino)-3-pyridinyl]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 162070360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).