2-(2,6-difluorophenyl)-4-[(3,3-dimethyl-1,2-dihydropyrrolo[2,3-b]pyridin-6-yl)amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one

C22H19F2N5O — CID 122507173

IUPAC2-(2,6-difluorophenyl)-4-[(3,3-dimethyl-1,2-dihydropyrrolo[2,3-b]pyridin-6-yl)amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
SMILESCC1(C)CNc2nc(Nc3cc(-c4c(F)cccc4F)nc4c3C(=O)NC4)ccc21
InChIInChI=1S/C22H19F2N5O/c1-22(2)10-26-20-11(22)6-7-17(29-20)28-15-8-14(18-12(23)4-3-5-13(18)24)27-16-9-25-21(30)19(15)16/h3-8H,9-10H2,1-2H3,(H,25,30)(H2,26,27,28,29)
InChIKeyRFBIPGGQVYYQIR-UHFFFAOYSA-N
MW407.42 g/mol
LogP4.11
Rot. Bonds3

About 2-(2,6-difluorophenyl)-4-[(3,3-dimethyl-1,2-dihydropyrrolo[2,3-b]pyridin-6-yl)amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one

2-(2,6-difluorophenyl)-4-[(3,3-dimethyl-1,2-dihydropyrrolo[2,3-b]pyridin-6-yl)amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one (PubChem CID 122507173) has the molecular formula C22H19F2N5O and a molecular weight of 407.42 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-4-[(3,3-dimethyl-1,2-dihydropyrrolo[2,3-b]pyridin-6-yl)amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-4-[(3,3-dimethyl-1,2-dihydropyrrolo[2,3-b]pyridin-6-yl)amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
PubChem CID122507173
Molecular FormulaC22H19F2N5O
Molecular Weight407.42 g/mol
Exact Mass407.16
IUPAC Name2-(2,6-difluorophenyl)-4-[(3,3-dimethyl-1,2-dihydropyrrolo[2,3-b]pyridin-6-yl)amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
SMILESCC1(C)CNc2nc(Nc3cc(-c4c(F)cccc4F)nc4c3C(=O)NC4)ccc21
InChIInChI=1S/C22H19F2N5O/c1-22(2)10-26-20-11(22)6-7-17(29-20)28-15-8-14(18-12(23)4-3-5-13(18)24)27-16-9-25-21(30)19(15)16/h3-8H,9-10H2,1-2H3,(H,25,30)(H2,26,27,28,29)
InChIKeyRFBIPGGQVYYQIR-UHFFFAOYSA-N
XLogP4.11
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.42
LogP ≤ 54.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-(2,6-difluorophenyl)-4-[(3,3-dimethyl-1,2-dihydropyrrolo[2,3-b]pyridin-6-yl)amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-4-[(3,3-dimethyl-1,2-dihydropyrrolo[2,3-b]pyridin-6-yl)amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 2-(2,6-difluorophenyl)-4-[(3,3-dimethyl-1,2-dihydropyrrolo[2,3-b]pyridin-6-yl)amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one (CID 122507173) is 2-(2,6-difluorophenyl)-4-[(3,3-dimethyl-1,2-dihydropyrrolo[2,3-b]pyridin-6-yl)amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 2-(2,6-difluorophenyl)-4-[(3,3-dimethyl-1,2-dihydropyrrolo[2,3-b]pyridin-6-yl)amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 2-(2,6-difluorophenyl)-4-[(3,3-dimethyl-1,2-dihydropyrrolo[2,3-b]pyridin-6-yl)amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one is CC1(C)CNc2nc(Nc3cc(-c4c(F)cccc4F)nc4c3C(=O)NC4)ccc21.
What is the InChIKey of 2-(2,6-difluorophenyl)-4-[(3,3-dimethyl-1,2-dihydropyrrolo[2,3-b]pyridin-6-yl)amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
The InChIKey is RFBIPGGQVYYQIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2N5O/c1-22(2)10-26-20-11(22)6-7-17(29-20)28-15-8-14(18-12(23)4-3-5-13(18)24)27-16-9-25-21(30)19(15)16/h3-8H,9-10H2,1-2H3,(H,25,30)(H2,26,27,28,29).
What are the key properties of 2-(2,6-difluorophenyl)-4-[(3,3-dimethyl-1,2-dihydropyrrolo[2,3-b]pyridin-6-yl)amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
2-(2,6-difluorophenyl)-4-[(3,3-dimethyl-1,2-dihydropyrrolo[2,3-b]pyridin-6-yl)amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one has a molecular weight of 407.42 g/mol, XLogP of 4.11, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-4-[(3,3-dimethyl-1,2-dihydropyrrolo[2,3-b]pyridin-6-yl)amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 122507173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).