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

C23H29N7O — CID 138686784

IUPAC6-[5-(4-ethylpiperazin-1-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine
SMILESCCN1CCN(c2ccc3[nH]c(-c4cc(OC)c5ncnn5c4)c(C(C)C)c3n2)CC1
InChIInChI=1S/C23H29N7O/c1-5-28-8-10-29(11-9-28)19-7-6-17-22(27-19)20(15(2)3)21(26-17)16-12-18(31-4)23-24-14-25-30(23)13-16/h6-7,12-15,26H,5,8-11H2,1-4H3
InChIKeyIWRROPXAIZRYDF-UHFFFAOYSA-N
MW419.53 g/mol
LogP3.55
Rot. Bonds5

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

6-[5-(4-ethylpiperazin-1-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 138686784) has the molecular formula C23H29N7O and a molecular weight of 419.53 g/mol. Its IUPAC name is 6-[5-(4-ethylpiperazin-1-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name6-[5-(4-ethylpiperazin-1-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID138686784
Molecular FormulaC23H29N7O
Molecular Weight419.53 g/mol
Exact Mass419.24
IUPAC Name6-[5-(4-ethylpiperazin-1-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine
SMILESCCN1CCN(c2ccc3[nH]c(-c4cc(OC)c5ncnn5c4)c(C(C)C)c3n2)CC1
InChIInChI=1S/C23H29N7O/c1-5-28-8-10-29(11-9-28)19-7-6-17-22(27-19)20(15(2)3)21(26-17)16-12-18(31-4)23-24-14-25-30(23)13-16/h6-7,12-15,26H,5,8-11H2,1-4H3
InChIKeyIWRROPXAIZRYDF-UHFFFAOYSA-N
XLogP3.55
TPSA74.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of 6-[5-(4-ethylpiperazin-1-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 6-[5-(4-ethylpiperazin-1-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine (CID 138686784) is 6-[5-(4-ethylpiperazin-1-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 6-[5-(4-ethylpiperazin-1-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 6-[5-(4-ethylpiperazin-1-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine is CCN1CCN(c2ccc3[nH]c(-c4cc(OC)c5ncnn5c4)c(C(C)C)c3n2)CC1.
What is the InChIKey of 6-[5-(4-ethylpiperazin-1-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is IWRROPXAIZRYDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N7O/c1-5-28-8-10-29(11-9-28)19-7-6-17-22(27-19)20(15(2)3)21(26-17)16-12-18(31-4)23-24-14-25-30(23)13-16/h6-7,12-15,26H,5,8-11H2,1-4H3.
What are the key properties of 6-[5-(4-ethylpiperazin-1-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine?
6-[5-(4-ethylpiperazin-1-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 419.53 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(4-ethylpiperazin-1-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 138686784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).