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

C25H33N7O — CID 138686309

IUPAC8-methoxy-6-[5-[4-(2-methylpropyl)piperazin-1-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCOc1cc(-c2[nH]c3ccc(N4CCN(CC(C)C)CC4)nc3c2C(C)C)cn2ncnc12
InChIInChI=1S/C25H33N7O/c1-16(2)13-30-8-10-31(11-9-30)21-7-6-19-24(29-21)22(17(3)4)23(28-19)18-12-20(33-5)25-26-15-27-32(25)14-18/h6-7,12,14-17,28H,8-11,13H2,1-5H3
InChIKeyRBRIIBDFXAHCFG-UHFFFAOYSA-N
MW447.59 g/mol
LogP4.18
Rot. Bonds6

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

8-methoxy-6-[5-[4-(2-methylpropyl)piperazin-1-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 138686309) has the molecular formula C25H33N7O and a molecular weight of 447.59 g/mol. Its IUPAC name is 8-methoxy-6-[5-[4-(2-methylpropyl)piperazin-1-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name8-methoxy-6-[5-[4-(2-methylpropyl)piperazin-1-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID138686309
Molecular FormulaC25H33N7O
Molecular Weight447.59 g/mol
Exact Mass447.27
IUPAC Name8-methoxy-6-[5-[4-(2-methylpropyl)piperazin-1-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCOc1cc(-c2[nH]c3ccc(N4CCN(CC(C)C)CC4)nc3c2C(C)C)cn2ncnc12
InChIInChI=1S/C25H33N7O/c1-16(2)13-30-8-10-31(11-9-30)21-7-6-19-24(29-21)22(17(3)4)23(28-19)18-12-20(33-5)25-26-15-27-32(25)14-18/h6-7,12,14-17,28H,8-11,13H2,1-5H3
InChIKeyRBRIIBDFXAHCFG-UHFFFAOYSA-N
XLogP4.18
TPSA74.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.59
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-6-[5-[4-(2-methylpropyl)piperazin-1-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 8-methoxy-6-[5-[4-(2-methylpropyl)piperazin-1-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine (CID 138686309) is 8-methoxy-6-[5-[4-(2-methylpropyl)piperazin-1-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 8-methoxy-6-[5-[4-(2-methylpropyl)piperazin-1-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 8-methoxy-6-[5-[4-(2-methylpropyl)piperazin-1-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine is COc1cc(-c2[nH]c3ccc(N4CCN(CC(C)C)CC4)nc3c2C(C)C)cn2ncnc12.
What is the InChIKey of 8-methoxy-6-[5-[4-(2-methylpropyl)piperazin-1-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is RBRIIBDFXAHCFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N7O/c1-16(2)13-30-8-10-31(11-9-30)21-7-6-19-24(29-21)22(17(3)4)23(28-19)18-12-20(33-5)25-26-15-27-32(25)14-18/h6-7,12,14-17,28H,8-11,13H2,1-5H3.
What are the key properties of 8-methoxy-6-[5-[4-(2-methylpropyl)piperazin-1-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine?
8-methoxy-6-[5-[4-(2-methylpropyl)piperazin-1-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 447.59 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-6-[5-[4-(2-methylpropyl)piperazin-1-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 138686309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).