2-[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]propan-1-ol

C24H31N7O2 — CID 138686433

IUPAC2-[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]propan-1-ol
SMILESCOc1cc(-c2[nH]c3ccc(N4CCN(C(C)CO)CC4)nc3c2C(C)C)cn2ncnc12
InChIInChI=1S/C24H31N7O2/c1-15(2)21-22(17-11-19(33-4)24-25-14-26-31(24)12-17)27-18-5-6-20(28-23(18)21)30-9-7-29(8-10-30)16(3)13-32/h5-6,11-12,14-16,27,32H,7-10,13H2,1-4H3
InChIKeyBZTWOIVNTRLGTR-UHFFFAOYSA-N
MW449.56 g/mol
LogP2.91
Rot. Bonds6

About 2-[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]propan-1-ol

2-[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]propan-1-ol (PubChem CID 138686433) has the molecular formula C24H31N7O2 and a molecular weight of 449.56 g/mol. Its IUPAC name is 2-[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]propan-1-ol.

Molecular Properties

Compound Name2-[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]propan-1-ol
PubChem CID138686433
Molecular FormulaC24H31N7O2
Molecular Weight449.56 g/mol
Exact Mass449.25
IUPAC Name2-[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]propan-1-ol
SMILESCOc1cc(-c2[nH]c3ccc(N4CCN(C(C)CO)CC4)nc3c2C(C)C)cn2ncnc12
InChIInChI=1S/C24H31N7O2/c1-15(2)21-22(17-11-19(33-4)24-25-14-26-31(24)12-17)27-18-5-6-20(28-23(18)21)30-9-7-29(8-10-30)16(3)13-32/h5-6,11-12,14-16,27,32H,7-10,13H2,1-4H3
InChIKeyBZTWOIVNTRLGTR-UHFFFAOYSA-N
XLogP2.91
TPSA94.81 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.56
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[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]propan-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[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]propan-1-ol?
The IUPAC name of 2-[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]propan-1-ol (CID 138686433) is 2-[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]propan-1-ol.
What is the SMILES notation for 2-[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]propan-1-ol?
The canonical SMILES for 2-[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]propan-1-ol is COc1cc(-c2[nH]c3ccc(N4CCN(C(C)CO)CC4)nc3c2C(C)C)cn2ncnc12.
What is the InChIKey of 2-[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]propan-1-ol?
The InChIKey is BZTWOIVNTRLGTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N7O2/c1-15(2)21-22(17-11-19(33-4)24-25-14-26-31(24)12-17)27-18-5-6-20(28-23(18)21)30-9-7-29(8-10-30)16(3)13-32/h5-6,11-12,14-16,27,32H,7-10,13H2,1-4H3.
What are the key properties of 2-[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]propan-1-ol?
2-[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]propan-1-ol has a molecular weight of 449.56 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[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]propan-1-ol is sourced from PubChem (CID 138686433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).