4-[5-(4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,3-difluoro-1H-pyrrolo[2,3-b]pyridin-2-one

C23H25F2N7O2 — CID 164743566

IUPAC4-[5-(4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,3-difluoro-1H-pyrrolo[2,3-b]pyridin-2-one
SMILESCC1C(C2(CCN(CC2)C3=CC(=C(C4=NC=NN34)C5=C6C(=NC=C5)NC(=O)C6(F)F)C)CO1)N
InChIInChI=1S/C23H25F2N7O2/c1-12-9-15(31-7-4-22(5-8-31)10-34-13(2)18(22)26)32-20(28-11-29-32)16(12)14-3-6-27-19-17(14)23(24,25)21(33)30-19/h3,6,9,11,13,18H,4-5,7-8,10,26H2,1-2H3,(H,27,30,33)
InChIKeyHZIJDRGQZIJMSF-UHFFFAOYSA-N
MW469.50 g/mol
LogP1.80
Rot. Bonds2

About 4-[5-(4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,3-difluoro-1H-pyrrolo[2,3-b]pyridin-2-one

4-[5-(4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,3-difluoro-1H-pyrrolo[2,3-b]pyridin-2-one (PubChem CID 164743566) has the molecular formula C23H25F2N7O2 and a molecular weight of 469.50 g/mol. Its IUPAC name is 4-[5-(4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,3-difluoro-1H-pyrrolo[2,3-b]pyridin-2-one.

Molecular Properties

Compound Name4-[5-(4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,3-difluoro-1H-pyrrolo[2,3-b]pyridin-2-one
PubChem CID164743566
Molecular FormulaC23H25F2N7O2
Molecular Weight469.50 g/mol
Exact Mass469.20
IUPAC Name4-[5-(4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,3-difluoro-1H-pyrrolo[2,3-b]pyridin-2-one
SMILESCC1C(C2(CCN(CC2)C3=CC(=C(C4=NC=NN34)C5=C6C(=NC=C5)NC(=O)C6(F)F)C)CO1)N
InChIInChI=1S/C23H25F2N7O2/c1-12-9-15(31-7-4-22(5-8-31)10-34-13(2)18(22)26)32-20(28-11-29-32)16(12)14-3-6-27-19-17(14)23(24,25)21(33)30-19/h3,6,9,11,13,18H,4-5,7-8,10,26H2,1-2H3,(H,27,30,33)
InChIKeyHZIJDRGQZIJMSF-UHFFFAOYSA-N
XLogP1.80
TPSA111.00 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms34
Complexity810

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.50
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 4-[5-(4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,3-difluoro-1H-pyrrolo[2,3-b]pyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,3-difluoro-1H-pyrrolo[2,3-b]pyridin-2-one?
The IUPAC name of 4-[5-(4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,3-difluoro-1H-pyrrolo[2,3-b]pyridin-2-one (CID 164743566) is 4-[5-(4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,3-difluoro-1H-pyrrolo[2,3-b]pyridin-2-one.
What is the SMILES notation for 4-[5-(4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,3-difluoro-1H-pyrrolo[2,3-b]pyridin-2-one?
The canonical SMILES for 4-[5-(4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,3-difluoro-1H-pyrrolo[2,3-b]pyridin-2-one is CC1C(C2(CCN(CC2)C3=CC(=C(C4=NC=NN34)C5=C6C(=NC=C5)NC(=O)C6(F)F)C)CO1)N.
What is the InChIKey of 4-[5-(4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,3-difluoro-1H-pyrrolo[2,3-b]pyridin-2-one?
The InChIKey is HZIJDRGQZIJMSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F2N7O2/c1-12-9-15(31-7-4-22(5-8-31)10-34-13(2)18(22)26)32-20(28-11-29-32)16(12)14-3-6-27-19-17(14)23(24,25)21(33)30-19/h3,6,9,11,13,18H,4-5,7-8,10,26H2,1-2H3,(H,27,30,33).
What are the key properties of 4-[5-(4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,3-difluoro-1H-pyrrolo[2,3-b]pyridin-2-one?
4-[5-(4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,3-difluoro-1H-pyrrolo[2,3-b]pyridin-2-one has a molecular weight of 469.50 g/mol, XLogP of 1.80, 2 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,3-difluoro-1H-pyrrolo[2,3-b]pyridin-2-one is sourced from PubChem (CID 164743566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).