1-[4-[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]piperazin-1-yl]-2-methylpropan-2-ol

C25H32FN7O2 — CID 155226329

IUPAC1-[4-[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]piperazin-1-yl]-2-methylpropan-2-ol
SMILESCOc1cc(-c2[nH]c3cnc(N4CCN(CC(C)(C)O)CC4)c(F)c3c2C(C)C)cn2ncnc12
InChIInChI=1S/C25H32FN7O2/c1-15(2)19-20-17(30-22(19)16-10-18(35-5)23-28-14-29-33(23)12-16)11-27-24(21(20)26)32-8-6-31(7-9-32)13-25(3,4)34/h10-12,14-15,30,34H,6-9,13H2,1-5H3
InChIKeyYEVLYLRRJVOSSL-UHFFFAOYSA-N
MW481.58 g/mol
LogP3.44
Rot. Bonds6

About 1-[4-[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]piperazin-1-yl]-2-methylpropan-2-ol

1-[4-[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]piperazin-1-yl]-2-methylpropan-2-ol (PubChem CID 155226329) has the molecular formula C25H32FN7O2 and a molecular weight of 481.58 g/mol. Its IUPAC name is 1-[4-[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]piperazin-1-yl]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[4-[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]piperazin-1-yl]-2-methylpropan-2-ol
PubChem CID155226329
Molecular FormulaC25H32FN7O2
Molecular Weight481.58 g/mol
Exact Mass481.26
IUPAC Name1-[4-[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]piperazin-1-yl]-2-methylpropan-2-ol
SMILESCOc1cc(-c2[nH]c3cnc(N4CCN(CC(C)(C)O)CC4)c(F)c3c2C(C)C)cn2ncnc12
InChIInChI=1S/C25H32FN7O2/c1-15(2)19-20-17(30-22(19)16-10-18(35-5)23-28-14-29-33(23)12-16)11-27-24(21(20)26)32-8-6-31(7-9-32)13-25(3,4)34/h10-12,14-15,30,34H,6-9,13H2,1-5H3
InChIKeyYEVLYLRRJVOSSL-UHFFFAOYSA-N
XLogP3.44
TPSA94.81 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.58
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-[4-[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]piperazin-1-yl]-2-methylpropan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[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]piperazin-1-yl]-2-methylpropan-2-ol?
The IUPAC name of 1-[4-[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]piperazin-1-yl]-2-methylpropan-2-ol (CID 155226329) is 1-[4-[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]piperazin-1-yl]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[4-[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]piperazin-1-yl]-2-methylpropan-2-ol?
The canonical SMILES for 1-[4-[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]piperazin-1-yl]-2-methylpropan-2-ol is COc1cc(-c2[nH]c3cnc(N4CCN(CC(C)(C)O)CC4)c(F)c3c2C(C)C)cn2ncnc12.
What is the InChIKey of 1-[4-[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]piperazin-1-yl]-2-methylpropan-2-ol?
The InChIKey is YEVLYLRRJVOSSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32FN7O2/c1-15(2)19-20-17(30-22(19)16-10-18(35-5)23-28-14-29-33(23)12-16)11-27-24(21(20)26)32-8-6-31(7-9-32)13-25(3,4)34/h10-12,14-15,30,34H,6-9,13H2,1-5H3.
What are the key properties of 1-[4-[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]piperazin-1-yl]-2-methylpropan-2-ol?
1-[4-[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]piperazin-1-yl]-2-methylpropan-2-ol has a molecular weight of 481.58 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[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]piperazin-1-yl]-2-methylpropan-2-ol is sourced from PubChem (CID 155226329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).