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

C25H33N7O — CID 138686483

IUPAC6-[5-(4-butylpiperazin-1-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine
SMILESCCCCN1CCN(c2ccc3[nH]c(-c4cc(OC)c5ncnn5c4)c(C(C)C)c3n2)CC1
InChIInChI=1S/C25H33N7O/c1-5-6-9-30-10-12-31(13-11-30)21-8-7-19-24(29-21)22(17(2)3)23(28-19)18-14-20(33-4)25-26-16-27-32(25)15-18/h7-8,14-17,28H,5-6,9-13H2,1-4H3
InChIKeyKPRLDXQGXNCZOJ-UHFFFAOYSA-N
MW447.59 g/mol
LogP4.33
Rot. Bonds7

About 6-[5-(4-butylpiperazin-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-butylpiperazin-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 138686483) has the molecular formula C25H33N7O and a molecular weight of 447.59 g/mol. Its IUPAC name is 6-[5-(4-butylpiperazin-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-butylpiperazin-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 CID138686483
Molecular FormulaC25H33N7O
Molecular Weight447.59 g/mol
Exact Mass447.27
IUPAC Name6-[5-(4-butylpiperazin-1-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine
SMILESCCCCN1CCN(c2ccc3[nH]c(-c4cc(OC)c5ncnn5c4)c(C(C)C)c3n2)CC1
InChIInChI=1S/C25H33N7O/c1-5-6-9-30-10-12-31(13-11-30)21-8-7-19-24(29-21)22(17(2)3)23(28-19)18-14-20(33-4)25-26-16-27-32(25)15-18/h7-8,14-17,28H,5-6,9-13H2,1-4H3
InChIKeyKPRLDXQGXNCZOJ-UHFFFAOYSA-N
XLogP4.33
TPSA74.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.59
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[5-(4-butylpiperazin-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-butylpiperazin-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-butylpiperazin-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 138686483) is 6-[5-(4-butylpiperazin-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-butylpiperazin-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-butylpiperazin-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 CCCCN1CCN(c2ccc3[nH]c(-c4cc(OC)c5ncnn5c4)c(C(C)C)c3n2)CC1.
What is the InChIKey of 6-[5-(4-butylpiperazin-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 KPRLDXQGXNCZOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N7O/c1-5-6-9-30-10-12-31(13-11-30)21-8-7-19-24(29-21)22(17(2)3)23(28-19)18-14-20(33-4)25-26-16-27-32(25)15-18/h7-8,14-17,28H,5-6,9-13H2,1-4H3.
What are the key properties of 6-[5-(4-butylpiperazin-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-butylpiperazin-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 447.59 g/mol, XLogP of 4.33, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(4-butylpiperazin-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 138686483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).