2-(3-amino-6-pyridin-3-yl-2-pyridinyl)-1-[6-(2,2-difluoroethyl)-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone

C21H19F2N5O — CID 147399624

IUPAC2-(3-amino-6-pyridin-3-yl-2-pyridinyl)-1-[6-(2,2-difluoroethyl)-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone
SMILESNc1ccc(-c2cccnc2)nc1CC(=O)N1Cc2cnc(CC(F)F)cc2C1
InChIInChI=1S/C21H19F2N5O/c22-20(23)7-16-6-14-11-28(12-15(14)10-26-16)21(29)8-19-17(24)3-4-18(27-19)13-2-1-5-25-9-13/h1-6,9-10,20H,7-8,11-12,24H2
InChIKeyDOMNZMXJFYQMBJ-UHFFFAOYSA-N
MW395.41 g/mol
LogP3.01
Rot. Bonds5

About 2-(3-amino-6-pyridin-3-yl-2-pyridinyl)-1-[6-(2,2-difluoroethyl)-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone

2-(3-amino-6-pyridin-3-yl-2-pyridinyl)-1-[6-(2,2-difluoroethyl)-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone (PubChem CID 147399624) has the molecular formula C21H19F2N5O and a molecular weight of 395.41 g/mol. Its IUPAC name is 2-(3-amino-6-pyridin-3-yl-2-pyridinyl)-1-[6-(2,2-difluoroethyl)-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone.

Molecular Properties

Compound Name2-(3-amino-6-pyridin-3-yl-2-pyridinyl)-1-[6-(2,2-difluoroethyl)-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone
PubChem CID147399624
Molecular FormulaC21H19F2N5O
Molecular Weight395.41 g/mol
Exact Mass395.16
IUPAC Name2-(3-amino-6-pyridin-3-yl-2-pyridinyl)-1-[6-(2,2-difluoroethyl)-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone
SMILESNc1ccc(-c2cccnc2)nc1CC(=O)N1Cc2cnc(CC(F)F)cc2C1
InChIInChI=1S/C21H19F2N5O/c22-20(23)7-16-6-14-11-28(12-15(14)10-26-16)21(29)8-19-17(24)3-4-18(27-19)13-2-1-5-25-9-13/h1-6,9-10,20H,7-8,11-12,24H2
InChIKeyDOMNZMXJFYQMBJ-UHFFFAOYSA-N
XLogP3.01
TPSA85.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.41
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(3-amino-6-pyridin-3-yl-2-pyridinyl)-1-[6-(2,2-difluoroethyl)-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone with MolForge

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Related Compounds

2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)ethanone
CID 162036810
(1-methylpiperidin-4-yl)methyl 2-(3-amino-6-pyridin-3-yl-2-pyridinyl)acetate
CID 160559675
2-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-1-(2-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)ethanone
CID 163822504
1-(3-amino-6-phenyl-2-pyridinyl)propan-2-one;ethane
CID 161306224
sodium;2-(3-amino-6-pyridin-3-yl-2-pyridinyl)-1-[6-(2,2-difluoroethyl)-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone;3-bromoprop-1-yne;tert-butyl N,N-bis(prop-2-ynyl)carbamate;tert-butyl 6-(2,2-difluoroethenyl)-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxylate;tert-butyl 6-(2,2-difluoroethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxylate;2-O-tert-butyl 6-O-ethyl 1,3-dihydropyrrolo[3,4-c]pyridine-2,6-dicarboxylate;tert-butyl 6-formyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxylate;tert-butyl 6-(hydroxymethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxylate;tert-butyl N-prop-2-ynylcarbamate;2-chloro-2,2-difluoroacetate;1-[6-(2,2-difluoroethyl)-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]-2-(3-nitro-6-pyridin-3-yl-2-pyridinyl)ethanone;1-[6-(2,2-difluoroethyl)-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]-2,2,2-trifluoroethanone;ethyl cyanoformate;methane;phenyl N-(3-nitro-6-pyridin-3-yl-2-pyridinyl)-N-phenoxycarbonylcarbamate;prop-2-yn-1-amine
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1-(1,3-dihydroisoindol-2-yl)-2-[1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethylamino]ethanone
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2-(2-pyridin-3-yl-1,3-thiazol-4-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
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2-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-1-[3-[(6-methyl-3-pyridinyl)methyl]azetidin-1-yl]ethanone
CID 158400189
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CID 110371859

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-6-pyridin-3-yl-2-pyridinyl)-1-[6-(2,2-difluoroethyl)-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone?
The IUPAC name of 2-(3-amino-6-pyridin-3-yl-2-pyridinyl)-1-[6-(2,2-difluoroethyl)-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone (CID 147399624) is 2-(3-amino-6-pyridin-3-yl-2-pyridinyl)-1-[6-(2,2-difluoroethyl)-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone.
What is the SMILES notation for 2-(3-amino-6-pyridin-3-yl-2-pyridinyl)-1-[6-(2,2-difluoroethyl)-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone?
The canonical SMILES for 2-(3-amino-6-pyridin-3-yl-2-pyridinyl)-1-[6-(2,2-difluoroethyl)-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone is Nc1ccc(-c2cccnc2)nc1CC(=O)N1Cc2cnc(CC(F)F)cc2C1.
What is the InChIKey of 2-(3-amino-6-pyridin-3-yl-2-pyridinyl)-1-[6-(2,2-difluoroethyl)-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone?
The InChIKey is DOMNZMXJFYQMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N5O/c22-20(23)7-16-6-14-11-28(12-15(14)10-26-16)21(29)8-19-17(24)3-4-18(27-19)13-2-1-5-25-9-13/h1-6,9-10,20H,7-8,11-12,24H2.
What are the key properties of 2-(3-amino-6-pyridin-3-yl-2-pyridinyl)-1-[6-(2,2-difluoroethyl)-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone?
2-(3-amino-6-pyridin-3-yl-2-pyridinyl)-1-[6-(2,2-difluoroethyl)-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone has a molecular weight of 395.41 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-6-pyridin-3-yl-2-pyridinyl)-1-[6-(2,2-difluoroethyl)-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone is sourced from PubChem (CID 147399624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).