6-[4-[6-fluoro-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]-2-oxa-6-azaspiro[3.3]heptane

C28H33FN6O2 — CID 138686800

IUPAC6-[4-[6-fluoro-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]-2-oxa-6-azaspiro[3.3]heptane
SMILESCOc1cc(-c2[nH]c3cc(F)c(C4CCC(N5CC6(COC6)C5)CC4)nc3c2C(C)C)cn2ncnc12
InChIInChI=1S/C28H33FN6O2/c1-16(2)23-25(18-8-22(36-3)27-30-15-31-35(27)10-18)32-21-9-20(29)24(33-26(21)23)17-4-6-19(7-5-17)34-11-28(12-34)13-37-14-28/h8-10,15-17,19,32H,4-7,11-14H2,1-3H3
InChIKeyJLBSFXYBNYXLHH-UHFFFAOYSA-N
MW504.61 g/mol
LogP4.90
Rot. Bonds5

About 6-[4-[6-fluoro-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]-2-oxa-6-azaspiro[3.3]heptane

6-[4-[6-fluoro-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]-2-oxa-6-azaspiro[3.3]heptane (PubChem CID 138686800) has the molecular formula C28H33FN6O2 and a molecular weight of 504.61 g/mol. Its IUPAC name is 6-[4-[6-fluoro-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]-2-oxa-6-azaspiro[3.3]heptane.

Molecular Properties

Compound Name6-[4-[6-fluoro-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]-2-oxa-6-azaspiro[3.3]heptane
PubChem CID138686800
Molecular FormulaC28H33FN6O2
Molecular Weight504.61 g/mol
Exact Mass504.26
IUPAC Name6-[4-[6-fluoro-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]-2-oxa-6-azaspiro[3.3]heptane
SMILESCOc1cc(-c2[nH]c3cc(F)c(C4CCC(N5CC6(COC6)C5)CC4)nc3c2C(C)C)cn2ncnc12
InChIInChI=1S/C28H33FN6O2/c1-16(2)23-25(18-8-22(36-3)27-30-15-31-35(27)10-18)32-21-9-20(29)24(33-26(21)23)17-4-6-19(7-5-17)34-11-28(12-34)13-37-14-28/h8-10,15-17,19,32H,4-7,11-14H2,1-3H3
InChIKeyJLBSFXYBNYXLHH-UHFFFAOYSA-N
XLogP4.90
TPSA80.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.61
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[4-[6-fluoro-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]-2-oxa-6-azaspiro[3.3]heptane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[4-[6-fluoro-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]-2-oxa-6-azaspiro[3.3]heptane?
The IUPAC name of 6-[4-[6-fluoro-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]-2-oxa-6-azaspiro[3.3]heptane (CID 138686800) is 6-[4-[6-fluoro-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]-2-oxa-6-azaspiro[3.3]heptane.
What is the SMILES notation for 6-[4-[6-fluoro-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]-2-oxa-6-azaspiro[3.3]heptane?
The canonical SMILES for 6-[4-[6-fluoro-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]-2-oxa-6-azaspiro[3.3]heptane is COc1cc(-c2[nH]c3cc(F)c(C4CCC(N5CC6(COC6)C5)CC4)nc3c2C(C)C)cn2ncnc12.
What is the InChIKey of 6-[4-[6-fluoro-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]-2-oxa-6-azaspiro[3.3]heptane?
The InChIKey is JLBSFXYBNYXLHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33FN6O2/c1-16(2)23-25(18-8-22(36-3)27-30-15-31-35(27)10-18)32-21-9-20(29)24(33-26(21)23)17-4-6-19(7-5-17)34-11-28(12-34)13-37-14-28/h8-10,15-17,19,32H,4-7,11-14H2,1-3H3.
What are the key properties of 6-[4-[6-fluoro-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]-2-oxa-6-azaspiro[3.3]heptane?
6-[4-[6-fluoro-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]-2-oxa-6-azaspiro[3.3]heptane has a molecular weight of 504.61 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[6-fluoro-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]-2-oxa-6-azaspiro[3.3]heptane is sourced from PubChem (CID 138686800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).