2-[6-[[2-(2,6-difluorophenyl)-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-4-yl]amino]-3-pyridinyl]-N-ethylacetamide

C22H19F2N5O2 — CID 118341435

IUPAC2-[6-[[2-(2,6-difluorophenyl)-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-4-yl]amino]-3-pyridinyl]-N-ethylacetamide
SMILESCCNC(=O)Cc1ccc(Nc2cc(-c3c(F)cccc3F)nc3c2C(=O)NC3)nc1
InChIInChI=1S/C22H19F2N5O2/c1-2-25-19(30)8-12-6-7-18(26-10-12)29-16-9-15(20-13(23)4-3-5-14(20)24)28-17-11-27-22(31)21(16)17/h3-7,9-10H,2,8,11H2,1H3,(H,25,30)(H,27,31)(H,26,28,29)
InChIKeyVDBXBFGDCXCBAX-UHFFFAOYSA-N
MW423.42 g/mol
LogP3.09
Rot. Bonds6

About 2-[6-[[2-(2,6-difluorophenyl)-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-4-yl]amino]-3-pyridinyl]-N-ethylacetamide

2-[6-[[2-(2,6-difluorophenyl)-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-4-yl]amino]-3-pyridinyl]-N-ethylacetamide (PubChem CID 118341435) has the molecular formula C22H19F2N5O2 and a molecular weight of 423.42 g/mol. Its IUPAC name is 2-[6-[[2-(2,6-difluorophenyl)-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-4-yl]amino]-3-pyridinyl]-N-ethylacetamide.

Molecular Properties

Compound Name2-[6-[[2-(2,6-difluorophenyl)-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-4-yl]amino]-3-pyridinyl]-N-ethylacetamide
PubChem CID118341435
Molecular FormulaC22H19F2N5O2
Molecular Weight423.42 g/mol
Exact Mass423.15
IUPAC Name2-[6-[[2-(2,6-difluorophenyl)-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-4-yl]amino]-3-pyridinyl]-N-ethylacetamide
SMILESCCNC(=O)Cc1ccc(Nc2cc(-c3c(F)cccc3F)nc3c2C(=O)NC3)nc1
InChIInChI=1S/C22H19F2N5O2/c1-2-25-19(30)8-12-6-7-18(26-10-12)29-16-9-15(20-13(23)4-3-5-14(20)24)28-17-11-27-22(31)21(16)17/h3-7,9-10H,2,8,11H2,1H3,(H,25,30)(H,27,31)(H,26,28,29)
InChIKeyVDBXBFGDCXCBAX-UHFFFAOYSA-N
XLogP3.09
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.42
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[6-[[2-(2,6-difluorophenyl)-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-4-yl]amino]-3-pyridinyl]-N-ethylacetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[[2-(2,6-difluorophenyl)-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-4-yl]amino]-3-pyridinyl]-N-ethylacetamide?
The IUPAC name of 2-[6-[[2-(2,6-difluorophenyl)-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-4-yl]amino]-3-pyridinyl]-N-ethylacetamide (CID 118341435) is 2-[6-[[2-(2,6-difluorophenyl)-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-4-yl]amino]-3-pyridinyl]-N-ethylacetamide.
What is the SMILES notation for 2-[6-[[2-(2,6-difluorophenyl)-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-4-yl]amino]-3-pyridinyl]-N-ethylacetamide?
The canonical SMILES for 2-[6-[[2-(2,6-difluorophenyl)-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-4-yl]amino]-3-pyridinyl]-N-ethylacetamide is CCNC(=O)Cc1ccc(Nc2cc(-c3c(F)cccc3F)nc3c2C(=O)NC3)nc1.
What is the InChIKey of 2-[6-[[2-(2,6-difluorophenyl)-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-4-yl]amino]-3-pyridinyl]-N-ethylacetamide?
The InChIKey is VDBXBFGDCXCBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2N5O2/c1-2-25-19(30)8-12-6-7-18(26-10-12)29-16-9-15(20-13(23)4-3-5-14(20)24)28-17-11-27-22(31)21(16)17/h3-7,9-10H,2,8,11H2,1H3,(H,25,30)(H,27,31)(H,26,28,29).
What are the key properties of 2-[6-[[2-(2,6-difluorophenyl)-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-4-yl]amino]-3-pyridinyl]-N-ethylacetamide?
2-[6-[[2-(2,6-difluorophenyl)-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-4-yl]amino]-3-pyridinyl]-N-ethylacetamide has a molecular weight of 423.42 g/mol, XLogP of 3.09, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[[2-(2,6-difluorophenyl)-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-4-yl]amino]-3-pyridinyl]-N-ethylacetamide is sourced from PubChem (CID 118341435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).