2-(2,6-difluorophenyl)-4-[[5-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one

C24H22F2N6O — CID 118347888

IUPAC2-(2,6-difluorophenyl)-4-[[5-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
SMILESCN1CC2(C1)CN(c1ccc(Nc3cc(-c4c(F)cccc4F)nc4c3C(=O)NC4)nc1)C2
InChIInChI=1S/C24H22F2N6O/c1-31-10-24(11-31)12-32(13-24)14-5-6-20(27-8-14)30-18-7-17(21-15(25)3-2-4-16(21)26)29-19-9-28-23(33)22(18)19/h2-8H,9-13H2,1H3,(H,28,33)(H,27,29,30)
InChIKeyIEJFZNRQRZZNIE-UHFFFAOYSA-N
MW448.48 g/mol
LogP3.16
Rot. Bonds4

About 2-(2,6-difluorophenyl)-4-[[5-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one

2-(2,6-difluorophenyl)-4-[[5-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one (PubChem CID 118347888) has the molecular formula C24H22F2N6O and a molecular weight of 448.48 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-4-[[5-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-4-[[5-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
PubChem CID118347888
Molecular FormulaC24H22F2N6O
Molecular Weight448.48 g/mol
Exact Mass448.18
IUPAC Name2-(2,6-difluorophenyl)-4-[[5-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
SMILESCN1CC2(C1)CN(c1ccc(Nc3cc(-c4c(F)cccc4F)nc4c3C(=O)NC4)nc1)C2
InChIInChI=1S/C24H22F2N6O/c1-31-10-24(11-31)12-32(13-24)14-5-6-20(27-8-14)30-18-7-17(21-15(25)3-2-4-16(21)26)29-19-9-28-23(33)22(18)19/h2-8H,9-13H2,1H3,(H,28,33)(H,27,29,30)
InChIKeyIEJFZNRQRZZNIE-UHFFFAOYSA-N
XLogP3.16
TPSA73.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.48
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(2,6-difluorophenyl)-4-[[5-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]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-[[5-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 2-(2,6-difluorophenyl)-4-[[5-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one (CID 118347888) is 2-(2,6-difluorophenyl)-4-[[5-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 2-(2,6-difluorophenyl)-4-[[5-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 2-(2,6-difluorophenyl)-4-[[5-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one is CN1CC2(C1)CN(c1ccc(Nc3cc(-c4c(F)cccc4F)nc4c3C(=O)NC4)nc1)C2.
What is the InChIKey of 2-(2,6-difluorophenyl)-4-[[5-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
The InChIKey is IEJFZNRQRZZNIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N6O/c1-31-10-24(11-31)12-32(13-24)14-5-6-20(27-8-14)30-18-7-17(21-15(25)3-2-4-16(21)26)29-19-9-28-23(33)22(18)19/h2-8H,9-13H2,1H3,(H,28,33)(H,27,29,30).
What are the key properties of 2-(2,6-difluorophenyl)-4-[[5-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
2-(2,6-difluorophenyl)-4-[[5-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one has a molecular weight of 448.48 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-4-[[5-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 118347888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).