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

C27H32FN7O2 — CID 155226066

IUPAC6-[1-[4-fluoro-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-5-yl]piperidin-4-yl]-2-oxa-6-azaspiro[3.3]heptane
SMILESCOc1cc(-c2[nH]c3cnc(N4CCC(N5CC6(COC6)C5)CC4)c(F)c3c2C(C)C)cn2ncnc12
InChIInChI=1S/C27H32FN7O2/c1-16(2)21-22-19(32-24(21)17-8-20(36-3)25-30-15-31-35(25)10-17)9-29-26(23(22)28)33-6-4-18(5-7-33)34-11-27(12-34)13-37-14-27/h8-10,15-16,18,32H,4-7,11-14H2,1-3H3
InChIKeyOGMGWSXUZIUXQZ-UHFFFAOYSA-N
MW505.60 g/mol
LogP3.84
Rot. Bonds5

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

6-[1-[4-fluoro-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-5-yl]piperidin-4-yl]-2-oxa-6-azaspiro[3.3]heptane (PubChem CID 155226066) has the molecular formula C27H32FN7O2 and a molecular weight of 505.60 g/mol. Its IUPAC name is 6-[1-[4-fluoro-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-5-yl]piperidin-4-yl]-2-oxa-6-azaspiro[3.3]heptane.

Molecular Properties

Compound Name6-[1-[4-fluoro-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-5-yl]piperidin-4-yl]-2-oxa-6-azaspiro[3.3]heptane
PubChem CID155226066
Molecular FormulaC27H32FN7O2
Molecular Weight505.60 g/mol
Exact Mass505.26
IUPAC Name6-[1-[4-fluoro-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-5-yl]piperidin-4-yl]-2-oxa-6-azaspiro[3.3]heptane
SMILESCOc1cc(-c2[nH]c3cnc(N4CCC(N5CC6(COC6)C5)CC4)c(F)c3c2C(C)C)cn2ncnc12
InChIInChI=1S/C27H32FN7O2/c1-16(2)21-22-19(32-24(21)17-8-20(36-3)25-30-15-31-35(25)10-17)9-29-26(23(22)28)33-6-4-18(5-7-33)34-11-27(12-34)13-37-14-27/h8-10,15-16,18,32H,4-7,11-14H2,1-3H3
InChIKeyOGMGWSXUZIUXQZ-UHFFFAOYSA-N
XLogP3.84
TPSA83.81 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.60
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of 6-[1-[4-fluoro-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-5-yl]piperidin-4-yl]-2-oxa-6-azaspiro[3.3]heptane?
The IUPAC name of 6-[1-[4-fluoro-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-5-yl]piperidin-4-yl]-2-oxa-6-azaspiro[3.3]heptane (CID 155226066) is 6-[1-[4-fluoro-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-5-yl]piperidin-4-yl]-2-oxa-6-azaspiro[3.3]heptane.
What is the SMILES notation for 6-[1-[4-fluoro-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-5-yl]piperidin-4-yl]-2-oxa-6-azaspiro[3.3]heptane?
The canonical SMILES for 6-[1-[4-fluoro-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-5-yl]piperidin-4-yl]-2-oxa-6-azaspiro[3.3]heptane is COc1cc(-c2[nH]c3cnc(N4CCC(N5CC6(COC6)C5)CC4)c(F)c3c2C(C)C)cn2ncnc12.
What is the InChIKey of 6-[1-[4-fluoro-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-5-yl]piperidin-4-yl]-2-oxa-6-azaspiro[3.3]heptane?
The InChIKey is OGMGWSXUZIUXQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32FN7O2/c1-16(2)21-22-19(32-24(21)17-8-20(36-3)25-30-15-31-35(25)10-17)9-29-26(23(22)28)33-6-4-18(5-7-33)34-11-27(12-34)13-37-14-27/h8-10,15-16,18,32H,4-7,11-14H2,1-3H3.
What are the key properties of 6-[1-[4-fluoro-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-5-yl]piperidin-4-yl]-2-oxa-6-azaspiro[3.3]heptane?
6-[1-[4-fluoro-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-5-yl]piperidin-4-yl]-2-oxa-6-azaspiro[3.3]heptane has a molecular weight of 505.60 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[4-fluoro-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-5-yl]piperidin-4-yl]-2-oxa-6-azaspiro[3.3]heptane is sourced from PubChem (CID 155226066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).