1-[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]-2-methylpropan-2-ol

C25H33N7O2 — CID 138686492

IUPAC1-[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]-2-methylpropan-2-ol
SMILESCOc1cc(-c2[nH]c3ccc(N4CCN(CC(C)(C)O)CC4)nc3c2C(C)C)cn2ncnc12
InChIInChI=1S/C25H33N7O2/c1-16(2)21-22(17-12-19(34-5)24-26-15-27-32(24)13-17)28-18-6-7-20(29-23(18)21)31-10-8-30(9-11-31)14-25(3,4)33/h6-7,12-13,15-16,28,33H,8-11,14H2,1-5H3
InChIKeySRTUZVPGAMHJAJ-UHFFFAOYSA-N
MW463.59 g/mol
LogP3.30
Rot. Bonds6

About 1-[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]-2-methylpropan-2-ol

1-[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]-2-methylpropan-2-ol (PubChem CID 138686492) has the molecular formula C25H33N7O2 and a molecular weight of 463.59 g/mol. Its IUPAC name is 1-[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]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[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]-2-methylpropan-2-ol
PubChem CID138686492
Molecular FormulaC25H33N7O2
Molecular Weight463.59 g/mol
Exact Mass463.27
IUPAC Name1-[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]-2-methylpropan-2-ol
SMILESCOc1cc(-c2[nH]c3ccc(N4CCN(CC(C)(C)O)CC4)nc3c2C(C)C)cn2ncnc12
InChIInChI=1S/C25H33N7O2/c1-16(2)21-22(17-12-19(34-5)24-26-15-27-32(24)13-17)28-18-6-7-20(29-23(18)21)31-10-8-30(9-11-31)14-25(3,4)33/h6-7,12-13,15-16,28,33H,8-11,14H2,1-5H3
InChIKeySRTUZVPGAMHJAJ-UHFFFAOYSA-N
XLogP3.30
TPSA94.81 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
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 1-[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]-2-methylpropan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[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]-2-methylpropan-2-ol?
The IUPAC name of 1-[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]-2-methylpropan-2-ol (CID 138686492) is 1-[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]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[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]-2-methylpropan-2-ol?
The canonical SMILES for 1-[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]-2-methylpropan-2-ol is COc1cc(-c2[nH]c3ccc(N4CCN(CC(C)(C)O)CC4)nc3c2C(C)C)cn2ncnc12.
What is the InChIKey of 1-[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]-2-methylpropan-2-ol?
The InChIKey is SRTUZVPGAMHJAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N7O2/c1-16(2)21-22(17-12-19(34-5)24-26-15-27-32(24)13-17)28-18-6-7-20(29-23(18)21)31-10-8-30(9-11-31)14-25(3,4)33/h6-7,12-13,15-16,28,33H,8-11,14H2,1-5H3.
What are the key properties of 1-[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]-2-methylpropan-2-ol?
1-[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]-2-methylpropan-2-ol has a molecular weight of 463.59 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[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]-2-methylpropan-2-ol is sourced from PubChem (CID 138686492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).