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

C26H35N7O — CID 138687119

IUPAC8-methoxy-6-[5-[4-(3-methylbutyl)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(CCC(C)C)CC4)nc3c2C(C)C)cn2ncnc12
InChIInChI=1S/C26H35N7O/c1-17(2)8-9-31-10-12-32(13-11-31)22-7-6-20-25(30-22)23(18(3)4)24(29-20)19-14-21(34-5)26-27-16-28-33(26)15-19/h6-7,14-18,29H,8-13H2,1-5H3
InChIKeyGOUKQNHMRFCUIY-UHFFFAOYSA-N
MW461.61 g/mol
LogP4.57
Rot. Bonds7

About 8-methoxy-6-[5-[4-(3-methylbutyl)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-(3-methylbutyl)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 138687119) has the molecular formula C26H35N7O and a molecular weight of 461.61 g/mol. Its IUPAC name is 8-methoxy-6-[5-[4-(3-methylbutyl)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-(3-methylbutyl)piperazin-1-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID138687119
Molecular FormulaC26H35N7O
Molecular Weight461.61 g/mol
Exact Mass461.29
IUPAC Name8-methoxy-6-[5-[4-(3-methylbutyl)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(CCC(C)C)CC4)nc3c2C(C)C)cn2ncnc12
InChIInChI=1S/C26H35N7O/c1-17(2)8-9-31-10-12-32(13-11-31)22-7-6-20-25(30-22)23(18(3)4)24(29-20)19-14-21(34-5)26-27-16-28-33(26)15-19/h6-7,14-18,29H,8-13H2,1-5H3
InChIKeyGOUKQNHMRFCUIY-UHFFFAOYSA-N
XLogP4.57
TPSA74.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.61
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 8-methoxy-6-[5-[4-(3-methylbutyl)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-(3-methylbutyl)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-(3-methylbutyl)piperazin-1-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine (CID 138687119) is 8-methoxy-6-[5-[4-(3-methylbutyl)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-(3-methylbutyl)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-(3-methylbutyl)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(CCC(C)C)CC4)nc3c2C(C)C)cn2ncnc12.
What is the InChIKey of 8-methoxy-6-[5-[4-(3-methylbutyl)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 GOUKQNHMRFCUIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N7O/c1-17(2)8-9-31-10-12-32(13-11-31)22-7-6-20-25(30-22)23(18(3)4)24(29-20)19-14-21(34-5)26-27-16-28-33(26)15-19/h6-7,14-18,29H,8-13H2,1-5H3.
What are the key properties of 8-methoxy-6-[5-[4-(3-methylbutyl)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-(3-methylbutyl)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 461.61 g/mol, XLogP of 4.57, 7 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-(3-methylbutyl)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 138687119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).