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

C26H34N6O2 — CID 138687007

IUPAC8-methoxy-6-[3-propan-2-yl-5-[(1-propan-2-ylpiperidin-4-yl)methoxy]-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCOc1cc(-c2[nH]c3ccc(OCC4CCN(C(C)C)CC4)nc3c2C(C)C)cn2ncnc12
InChIInChI=1S/C26H34N6O2/c1-16(2)23-24(19-12-21(33-5)26-27-15-28-32(26)13-19)29-20-6-7-22(30-25(20)23)34-14-18-8-10-31(11-9-18)17(3)4/h6-7,12-13,15-18,29H,8-11,14H2,1-5H3
InChIKeyZSIUAFQKPNNQJS-UHFFFAOYSA-N
MW462.60 g/mol
LogP4.90
Rot. Bonds7

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

8-methoxy-6-[3-propan-2-yl-5-[(1-propan-2-ylpiperidin-4-yl)methoxy]-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 138687007) has the molecular formula C26H34N6O2 and a molecular weight of 462.60 g/mol. Its IUPAC name is 8-methoxy-6-[3-propan-2-yl-5-[(1-propan-2-ylpiperidin-4-yl)methoxy]-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name8-methoxy-6-[3-propan-2-yl-5-[(1-propan-2-ylpiperidin-4-yl)methoxy]-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID138687007
Molecular FormulaC26H34N6O2
Molecular Weight462.60 g/mol
Exact Mass462.27
IUPAC Name8-methoxy-6-[3-propan-2-yl-5-[(1-propan-2-ylpiperidin-4-yl)methoxy]-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCOc1cc(-c2[nH]c3ccc(OCC4CCN(C(C)C)CC4)nc3c2C(C)C)cn2ncnc12
InChIInChI=1S/C26H34N6O2/c1-16(2)23-24(19-12-21(33-5)26-27-15-28-32(26)13-19)29-20-6-7-22(30-25(20)23)34-14-18-8-10-31(11-9-18)17(3)4/h6-7,12-13,15-18,29H,8-11,14H2,1-5H3
InChIKeyZSIUAFQKPNNQJS-UHFFFAOYSA-N
XLogP4.90
TPSA80.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.60
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-6-[3-propan-2-yl-5-[(1-propan-2-ylpiperidin-4-yl)methoxy]-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 8-methoxy-6-[3-propan-2-yl-5-[(1-propan-2-ylpiperidin-4-yl)methoxy]-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine (CID 138687007) is 8-methoxy-6-[3-propan-2-yl-5-[(1-propan-2-ylpiperidin-4-yl)methoxy]-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-[3-propan-2-yl-5-[(1-propan-2-ylpiperidin-4-yl)methoxy]-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 8-methoxy-6-[3-propan-2-yl-5-[(1-propan-2-ylpiperidin-4-yl)methoxy]-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine is COc1cc(-c2[nH]c3ccc(OCC4CCN(C(C)C)CC4)nc3c2C(C)C)cn2ncnc12.
What is the InChIKey of 8-methoxy-6-[3-propan-2-yl-5-[(1-propan-2-ylpiperidin-4-yl)methoxy]-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is ZSIUAFQKPNNQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N6O2/c1-16(2)23-24(19-12-21(33-5)26-27-15-28-32(26)13-19)29-20-6-7-22(30-25(20)23)34-14-18-8-10-31(11-9-18)17(3)4/h6-7,12-13,15-18,29H,8-11,14H2,1-5H3.
What are the key properties of 8-methoxy-6-[3-propan-2-yl-5-[(1-propan-2-ylpiperidin-4-yl)methoxy]-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine?
8-methoxy-6-[3-propan-2-yl-5-[(1-propan-2-ylpiperidin-4-yl)methoxy]-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 462.60 g/mol, XLogP of 4.90, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-6-[3-propan-2-yl-5-[(1-propan-2-ylpiperidin-4-yl)methoxy]-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 138687007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).