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

C21H17F2N5O2 — CID 118341399

IUPAC5-[[2-(2,6-difluorophenyl)-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-4-yl]amino]-N-ethylpyridine-2-carboxamide
SMILESCCNC(=O)c1ccc(Nc2cc(-c3c(F)cccc3F)nc3c2C(=O)NC3)cn1
InChIInChI=1S/C21H17F2N5O2/c1-2-24-20(29)14-7-6-11(9-25-14)27-16-8-15(18-12(22)4-3-5-13(18)23)28-17-10-26-21(30)19(16)17/h3-9H,2,10H2,1H3,(H,24,29)(H,26,30)(H,27,28)
InChIKeyIFEKNHIGVLDDEH-UHFFFAOYSA-N
MW409.40 g/mol
LogP3.16
Rot. Bonds5

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

5-[[2-(2,6-difluorophenyl)-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-4-yl]amino]-N-ethylpyridine-2-carboxamide (PubChem CID 118341399) has the molecular formula C21H17F2N5O2 and a molecular weight of 409.40 g/mol. Its IUPAC name is 5-[[2-(2,6-difluorophenyl)-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-4-yl]amino]-N-ethylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[[2-(2,6-difluorophenyl)-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-4-yl]amino]-N-ethylpyridine-2-carboxamide
PubChem CID118341399
Molecular FormulaC21H17F2N5O2
Molecular Weight409.40 g/mol
Exact Mass409.14
IUPAC Name5-[[2-(2,6-difluorophenyl)-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-4-yl]amino]-N-ethylpyridine-2-carboxamide
SMILESCCNC(=O)c1ccc(Nc2cc(-c3c(F)cccc3F)nc3c2C(=O)NC3)cn1
InChIInChI=1S/C21H17F2N5O2/c1-2-24-20(29)14-7-6-11(9-25-14)27-16-8-15(18-12(22)4-3-5-13(18)23)28-17-10-26-21(30)19(16)17/h3-9H,2,10H2,1H3,(H,24,29)(H,26,30)(H,27,28)
InChIKeyIFEKNHIGVLDDEH-UHFFFAOYSA-N
XLogP3.16
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.40
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-(2,6-difluorophenyl)-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-4-yl]amino]-N-ethylpyridine-2-carboxamide?
The IUPAC name of 5-[[2-(2,6-difluorophenyl)-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-4-yl]amino]-N-ethylpyridine-2-carboxamide (CID 118341399) is 5-[[2-(2,6-difluorophenyl)-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-4-yl]amino]-N-ethylpyridine-2-carboxamide.
What is the SMILES notation for 5-[[2-(2,6-difluorophenyl)-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-4-yl]amino]-N-ethylpyridine-2-carboxamide?
The canonical SMILES for 5-[[2-(2,6-difluorophenyl)-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-4-yl]amino]-N-ethylpyridine-2-carboxamide is CCNC(=O)c1ccc(Nc2cc(-c3c(F)cccc3F)nc3c2C(=O)NC3)cn1.
What is the InChIKey of 5-[[2-(2,6-difluorophenyl)-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-4-yl]amino]-N-ethylpyridine-2-carboxamide?
The InChIKey is IFEKNHIGVLDDEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2N5O2/c1-2-24-20(29)14-7-6-11(9-25-14)27-16-8-15(18-12(22)4-3-5-13(18)23)28-17-10-26-21(30)19(16)17/h3-9H,2,10H2,1H3,(H,24,29)(H,26,30)(H,27,28).
What are the key properties of 5-[[2-(2,6-difluorophenyl)-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-4-yl]amino]-N-ethylpyridine-2-carboxamide?
5-[[2-(2,6-difluorophenyl)-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-4-yl]amino]-N-ethylpyridine-2-carboxamide has a molecular weight of 409.40 g/mol, XLogP of 3.16, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(2,6-difluorophenyl)-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-4-yl]amino]-N-ethylpyridine-2-carboxamide is sourced from PubChem (CID 118341399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).