3-[4-[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]piperazin-1-yl]butan-1-ol

C25H33N7O2 — CID 138686470

IUPAC3-[4-[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]piperazin-1-yl]butan-1-ol
SMILESCOc1cc(-c2[nH]c3ccc(N4CCN(C(C)CCO)CC4)nc3c2C(C)C)cn2ncnc12
InChIInChI=1S/C25H33N7O2/c1-16(2)22-23(18-13-20(34-4)25-26-15-27-32(25)14-18)28-19-5-6-21(29-24(19)22)31-10-8-30(9-11-31)17(3)7-12-33/h5-6,13-17,28,33H,7-12H2,1-4H3
InChIKeyXAMQLGGCPMWBJK-UHFFFAOYSA-N
MW463.59 g/mol
LogP3.30
Rot. Bonds7

About 3-[4-[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]piperazin-1-yl]butan-1-ol

3-[4-[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]piperazin-1-yl]butan-1-ol (PubChem CID 138686470) has the molecular formula C25H33N7O2 and a molecular weight of 463.59 g/mol. Its IUPAC name is 3-[4-[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]piperazin-1-yl]butan-1-ol.

Molecular Properties

Compound Name3-[4-[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]piperazin-1-yl]butan-1-ol
PubChem CID138686470
Molecular FormulaC25H33N7O2
Molecular Weight463.59 g/mol
Exact Mass463.27
IUPAC Name3-[4-[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]piperazin-1-yl]butan-1-ol
SMILESCOc1cc(-c2[nH]c3ccc(N4CCN(C(C)CCO)CC4)nc3c2C(C)C)cn2ncnc12
InChIInChI=1S/C25H33N7O2/c1-16(2)22-23(18-13-20(34-4)25-26-15-27-32(25)14-18)28-19-5-6-21(29-24(19)22)31-10-8-30(9-11-31)17(3)7-12-33/h5-6,13-17,28,33H,7-12H2,1-4H3
InChIKeyXAMQLGGCPMWBJK-UHFFFAOYSA-N
XLogP3.30
TPSA94.81 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.59
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-[4-[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]piperazin-1-yl]butan-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[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]piperazin-1-yl]butan-1-ol?
The IUPAC name of 3-[4-[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]piperazin-1-yl]butan-1-ol (CID 138686470) is 3-[4-[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]piperazin-1-yl]butan-1-ol.
What is the SMILES notation for 3-[4-[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]piperazin-1-yl]butan-1-ol?
The canonical SMILES for 3-[4-[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]piperazin-1-yl]butan-1-ol is COc1cc(-c2[nH]c3ccc(N4CCN(C(C)CCO)CC4)nc3c2C(C)C)cn2ncnc12.
What is the InChIKey of 3-[4-[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]piperazin-1-yl]butan-1-ol?
The InChIKey is XAMQLGGCPMWBJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N7O2/c1-16(2)22-23(18-13-20(34-4)25-26-15-27-32(25)14-18)28-19-5-6-21(29-24(19)22)31-10-8-30(9-11-31)17(3)7-12-33/h5-6,13-17,28,33H,7-12H2,1-4H3.
What are the key properties of 3-[4-[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]piperazin-1-yl]butan-1-ol?
3-[4-[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]piperazin-1-yl]butan-1-ol has a molecular weight of 463.59 g/mol, XLogP of 3.30, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[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]piperazin-1-yl]butan-1-ol is sourced from PubChem (CID 138686470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).