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

C26H34N6O — CID 138686571

IUPAC2-methyl-1-[4-[2-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperidin-1-yl]propan-2-ol
SMILESCc1cc(-c2[nH]c3ccc(C4CCN(CC(C)(C)O)CC4)nc3c2C(C)C)cn2ncnc12
InChIInChI=1S/C26H34N6O/c1-16(2)22-23(19-12-17(3)25-27-15-28-32(25)13-19)30-21-7-6-20(29-24(21)22)18-8-10-31(11-9-18)14-26(4,5)33/h6-7,12-13,15-16,18,30,33H,8-11,14H2,1-5H3
InChIKeyBZHFQZSDBKDURY-UHFFFAOYSA-N
MW446.60 g/mol
LogP4.65
Rot. Bonds5

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

2-methyl-1-[4-[2-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperidin-1-yl]propan-2-ol (PubChem CID 138686571) has the molecular formula C26H34N6O and a molecular weight of 446.60 g/mol. Its IUPAC name is 2-methyl-1-[4-[2-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[4-[2-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperidin-1-yl]propan-2-ol
PubChem CID138686571
Molecular FormulaC26H34N6O
Molecular Weight446.60 g/mol
Exact Mass446.28
IUPAC Name2-methyl-1-[4-[2-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperidin-1-yl]propan-2-ol
SMILESCc1cc(-c2[nH]c3ccc(C4CCN(CC(C)(C)O)CC4)nc3c2C(C)C)cn2ncnc12
InChIInChI=1S/C26H34N6O/c1-16(2)22-23(19-12-17(3)25-27-15-28-32(25)13-19)30-21-7-6-20(29-24(21)22)18-8-10-31(11-9-18)14-26(4,5)33/h6-7,12-13,15-16,18,30,33H,8-11,14H2,1-5H3
InChIKeyBZHFQZSDBKDURY-UHFFFAOYSA-N
XLogP4.65
TPSA82.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.60
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-[2-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperidin-1-yl]propan-2-ol?
The IUPAC name of 2-methyl-1-[4-[2-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperidin-1-yl]propan-2-ol (CID 138686571) is 2-methyl-1-[4-[2-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperidin-1-yl]propan-2-ol.
What is the SMILES notation for 2-methyl-1-[4-[2-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperidin-1-yl]propan-2-ol?
The canonical SMILES for 2-methyl-1-[4-[2-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperidin-1-yl]propan-2-ol is Cc1cc(-c2[nH]c3ccc(C4CCN(CC(C)(C)O)CC4)nc3c2C(C)C)cn2ncnc12.
What is the InChIKey of 2-methyl-1-[4-[2-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperidin-1-yl]propan-2-ol?
The InChIKey is BZHFQZSDBKDURY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N6O/c1-16(2)22-23(19-12-17(3)25-27-15-28-32(25)13-19)30-21-7-6-20(29-24(21)22)18-8-10-31(11-9-18)14-26(4,5)33/h6-7,12-13,15-16,18,30,33H,8-11,14H2,1-5H3.
What are the key properties of 2-methyl-1-[4-[2-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperidin-1-yl]propan-2-ol?
2-methyl-1-[4-[2-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperidin-1-yl]propan-2-ol has a molecular weight of 446.60 g/mol, XLogP of 4.65, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-[2-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperidin-1-yl]propan-2-ol is sourced from PubChem (CID 138686571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).