6-(6-fluoro-5-piperidin-4-yl-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine

C22H25FN6O — CID 138687072

IUPAC6-(6-fluoro-5-piperidin-4-yl-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine
SMILESCOc1cc(-c2[nH]c3cc(F)c(C4CCNCC4)nc3c2C(C)C)cn2ncnc12
InChIInChI=1S/C22H25FN6O/c1-12(2)18-20(14-8-17(30-3)22-25-11-26-29(22)10-14)27-16-9-15(23)19(28-21(16)18)13-4-6-24-7-5-13/h8-13,24,27H,4-7H2,1-3H3
InChIKeyKKWYNPYRMMLVRZ-UHFFFAOYSA-N
MW408.48 g/mol
LogP4.01
Rot. Bonds4

About 6-(6-fluoro-5-piperidin-4-yl-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine

6-(6-fluoro-5-piperidin-4-yl-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 138687072) has the molecular formula C22H25FN6O and a molecular weight of 408.48 g/mol. Its IUPAC name is 6-(6-fluoro-5-piperidin-4-yl-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name6-(6-fluoro-5-piperidin-4-yl-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID138687072
Molecular FormulaC22H25FN6O
Molecular Weight408.48 g/mol
Exact Mass408.21
IUPAC Name6-(6-fluoro-5-piperidin-4-yl-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine
SMILESCOc1cc(-c2[nH]c3cc(F)c(C4CCNCC4)nc3c2C(C)C)cn2ncnc12
InChIInChI=1S/C22H25FN6O/c1-12(2)18-20(14-8-17(30-3)22-25-11-26-29(22)10-14)27-16-9-15(23)19(28-21(16)18)13-4-6-24-7-5-13/h8-13,24,27H,4-7H2,1-3H3
InChIKeyKKWYNPYRMMLVRZ-UHFFFAOYSA-N
XLogP4.01
TPSA80.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-(6-fluoro-5-piperidin-4-yl-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(6-fluoro-5-piperidin-4-yl-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 6-(6-fluoro-5-piperidin-4-yl-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine (CID 138687072) is 6-(6-fluoro-5-piperidin-4-yl-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 6-(6-fluoro-5-piperidin-4-yl-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 6-(6-fluoro-5-piperidin-4-yl-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine is COc1cc(-c2[nH]c3cc(F)c(C4CCNCC4)nc3c2C(C)C)cn2ncnc12.
What is the InChIKey of 6-(6-fluoro-5-piperidin-4-yl-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is KKWYNPYRMMLVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN6O/c1-12(2)18-20(14-8-17(30-3)22-25-11-26-29(22)10-14)27-16-9-15(23)19(28-21(16)18)13-4-6-24-7-5-13/h8-13,24,27H,4-7H2,1-3H3.
What are the key properties of 6-(6-fluoro-5-piperidin-4-yl-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine?
6-(6-fluoro-5-piperidin-4-yl-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 408.48 g/mol, XLogP of 4.01, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-fluoro-5-piperidin-4-yl-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 138687072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).