1-[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-methyl-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridine-5-carbonyl]piperazin-1-yl]ethanone

C25H29N7O3 — CID 138686883

IUPAC1-[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-methyl-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridine-5-carbonyl]piperazin-1-yl]ethanone
SMILESCOc1cc(-c2[nH]c3cc(C)c(C(=O)N4CCN(C(C)=O)CC4)nc3c2C(C)C)cn2ncnc12
InChIInChI=1S/C25H29N7O3/c1-14(2)20-22(17-11-19(35-5)24-26-13-27-32(24)12-17)28-18-10-15(3)21(29-23(18)20)25(34)31-8-6-30(7-9-31)16(4)33/h10-14,28H,6-9H2,1-5H3
InChIKeyOSSYBHNEYGBNLI-UHFFFAOYSA-N
MW475.55 g/mol
LogP3.02
Rot. Bonds4

About 1-[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-methyl-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridine-5-carbonyl]piperazin-1-yl]ethanone

1-[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-methyl-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridine-5-carbonyl]piperazin-1-yl]ethanone (PubChem CID 138686883) has the molecular formula C25H29N7O3 and a molecular weight of 475.55 g/mol. Its IUPAC name is 1-[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-methyl-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridine-5-carbonyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-methyl-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridine-5-carbonyl]piperazin-1-yl]ethanone
PubChem CID138686883
Molecular FormulaC25H29N7O3
Molecular Weight475.55 g/mol
Exact Mass475.23
IUPAC Name1-[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-methyl-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridine-5-carbonyl]piperazin-1-yl]ethanone
SMILESCOc1cc(-c2[nH]c3cc(C)c(C(=O)N4CCN(C(C)=O)CC4)nc3c2C(C)C)cn2ncnc12
InChIInChI=1S/C25H29N7O3/c1-14(2)20-22(17-11-19(35-5)24-26-13-27-32(24)12-17)28-18-10-15(3)21(29-23(18)20)25(34)31-8-6-30(7-9-31)16(4)33/h10-14,28H,6-9H2,1-5H3
InChIKeyOSSYBHNEYGBNLI-UHFFFAOYSA-N
XLogP3.02
TPSA108.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.55
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-methyl-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridine-5-carbonyl]piperazin-1-yl]ethanone 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)-6-methyl-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridine-5-carbonyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-methyl-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridine-5-carbonyl]piperazin-1-yl]ethanone (CID 138686883) is 1-[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-methyl-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridine-5-carbonyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-methyl-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridine-5-carbonyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-methyl-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridine-5-carbonyl]piperazin-1-yl]ethanone is COc1cc(-c2[nH]c3cc(C)c(C(=O)N4CCN(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)-6-methyl-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridine-5-carbonyl]piperazin-1-yl]ethanone?
The InChIKey is OSSYBHNEYGBNLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N7O3/c1-14(2)20-22(17-11-19(35-5)24-26-13-27-32(24)12-17)28-18-10-15(3)21(29-23(18)20)25(34)31-8-6-30(7-9-31)16(4)33/h10-14,28H,6-9H2,1-5H3.
What are the key properties of 1-[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-methyl-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridine-5-carbonyl]piperazin-1-yl]ethanone?
1-[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-methyl-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridine-5-carbonyl]piperazin-1-yl]ethanone has a molecular weight of 475.55 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 7 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)-6-methyl-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridine-5-carbonyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 138686883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).