2-(2,6-difluorophenyl)-4-[[5-(4-hydroxy-3,3-dimethylpiperidin-1-yl)-2-pyridinyl]amino]-6H-pyrrolo[3,4-b]pyridin-5-ol

C25H25F2N5O2 — CID 137152798

IUPAC2-(2,6-difluorophenyl)-4-[[5-(4-hydroxy-3,3-dimethylpiperidin-1-yl)-2-pyridinyl]amino]-6H-pyrrolo[3,4-b]pyridin-5-ol
SMILESCC1(C)CN(c2ccc(Nc3cc(-c4c(F)cccc4F)nc4c[nH]c(O)c34)nc2)CCC1O
InChIInChI=1S/C25H25F2N5O2/c1-25(2)13-32(9-8-20(25)33)14-6-7-21(28-11-14)31-18-10-17(22-15(26)4-3-5-16(22)27)30-19-12-29-24(34)23(18)19/h3-7,10-12,20,29,33-34H,8-9,13H2,1-2H3,(H,28,31)
InChIKeyBMCSJNKMHKMEDU-UHFFFAOYSA-N
MW465.50 g/mol
LogP4.95
Rot. Bonds4

About 2-(2,6-difluorophenyl)-4-[[5-(4-hydroxy-3,3-dimethylpiperidin-1-yl)-2-pyridinyl]amino]-6H-pyrrolo[3,4-b]pyridin-5-ol

2-(2,6-difluorophenyl)-4-[[5-(4-hydroxy-3,3-dimethylpiperidin-1-yl)-2-pyridinyl]amino]-6H-pyrrolo[3,4-b]pyridin-5-ol (PubChem CID 137152798) has the molecular formula C25H25F2N5O2 and a molecular weight of 465.50 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-4-[[5-(4-hydroxy-3,3-dimethylpiperidin-1-yl)-2-pyridinyl]amino]-6H-pyrrolo[3,4-b]pyridin-5-ol.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-4-[[5-(4-hydroxy-3,3-dimethylpiperidin-1-yl)-2-pyridinyl]amino]-6H-pyrrolo[3,4-b]pyridin-5-ol
PubChem CID137152798
Molecular FormulaC25H25F2N5O2
Molecular Weight465.50 g/mol
Exact Mass465.20
IUPAC Name2-(2,6-difluorophenyl)-4-[[5-(4-hydroxy-3,3-dimethylpiperidin-1-yl)-2-pyridinyl]amino]-6H-pyrrolo[3,4-b]pyridin-5-ol
SMILESCC1(C)CN(c2ccc(Nc3cc(-c4c(F)cccc4F)nc4c[nH]c(O)c34)nc2)CCC1O
InChIInChI=1S/C25H25F2N5O2/c1-25(2)13-32(9-8-20(25)33)14-6-7-21(28-11-14)31-18-10-17(22-15(26)4-3-5-16(22)27)30-19-12-29-24(34)23(18)19/h3-7,10-12,20,29,33-34H,8-9,13H2,1-2H3,(H,28,31)
InChIKeyBMCSJNKMHKMEDU-UHFFFAOYSA-N
XLogP4.95
TPSA97.30 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.50
LogP ≤ 54.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-4-[[5-(4-hydroxy-3,3-dimethylpiperidin-1-yl)-2-pyridinyl]amino]-6H-pyrrolo[3,4-b]pyridin-5-ol?
The IUPAC name of 2-(2,6-difluorophenyl)-4-[[5-(4-hydroxy-3,3-dimethylpiperidin-1-yl)-2-pyridinyl]amino]-6H-pyrrolo[3,4-b]pyridin-5-ol (CID 137152798) is 2-(2,6-difluorophenyl)-4-[[5-(4-hydroxy-3,3-dimethylpiperidin-1-yl)-2-pyridinyl]amino]-6H-pyrrolo[3,4-b]pyridin-5-ol.
What is the SMILES notation for 2-(2,6-difluorophenyl)-4-[[5-(4-hydroxy-3,3-dimethylpiperidin-1-yl)-2-pyridinyl]amino]-6H-pyrrolo[3,4-b]pyridin-5-ol?
The canonical SMILES for 2-(2,6-difluorophenyl)-4-[[5-(4-hydroxy-3,3-dimethylpiperidin-1-yl)-2-pyridinyl]amino]-6H-pyrrolo[3,4-b]pyridin-5-ol is CC1(C)CN(c2ccc(Nc3cc(-c4c(F)cccc4F)nc4c[nH]c(O)c34)nc2)CCC1O.
What is the InChIKey of 2-(2,6-difluorophenyl)-4-[[5-(4-hydroxy-3,3-dimethylpiperidin-1-yl)-2-pyridinyl]amino]-6H-pyrrolo[3,4-b]pyridin-5-ol?
The InChIKey is BMCSJNKMHKMEDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F2N5O2/c1-25(2)13-32(9-8-20(25)33)14-6-7-21(28-11-14)31-18-10-17(22-15(26)4-3-5-16(22)27)30-19-12-29-24(34)23(18)19/h3-7,10-12,20,29,33-34H,8-9,13H2,1-2H3,(H,28,31).
What are the key properties of 2-(2,6-difluorophenyl)-4-[[5-(4-hydroxy-3,3-dimethylpiperidin-1-yl)-2-pyridinyl]amino]-6H-pyrrolo[3,4-b]pyridin-5-ol?
2-(2,6-difluorophenyl)-4-[[5-(4-hydroxy-3,3-dimethylpiperidin-1-yl)-2-pyridinyl]amino]-6H-pyrrolo[3,4-b]pyridin-5-ol has a molecular weight of 465.50 g/mol, XLogP of 4.95, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-4-[[5-(4-hydroxy-3,3-dimethylpiperidin-1-yl)-2-pyridinyl]amino]-6H-pyrrolo[3,4-b]pyridin-5-ol is sourced from PubChem (CID 137152798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).