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

C25H32N6O2 — CID 138686820

IUPAC8-methoxy-6-[3-propan-2-yl-5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCOc1cc(-c2[nH]c3ccc(OC4CCN(C(C)C)CC4)nc3c2C(C)C)cn2ncnc12
InChIInChI=1S/C25H32N6O2/c1-15(2)22-23(17-12-20(32-5)25-26-14-27-31(25)13-17)28-19-6-7-21(29-24(19)22)33-18-8-10-30(11-9-18)16(3)4/h6-7,12-16,18,28H,8-11H2,1-5H3
InChIKeyPGJXCSMCXJKOQY-UHFFFAOYSA-N
MW448.57 g/mol
LogP4.66
Rot. Bonds6

About 8-methoxy-6-[3-propan-2-yl-5-(1-propan-2-ylpiperidin-4-yl)oxy-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)oxy-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 138686820) has the molecular formula C25H32N6O2 and a molecular weight of 448.57 g/mol. Its IUPAC name is 8-methoxy-6-[3-propan-2-yl-5-(1-propan-2-ylpiperidin-4-yl)oxy-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)oxy-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID138686820
Molecular FormulaC25H32N6O2
Molecular Weight448.57 g/mol
Exact Mass448.26
IUPAC Name8-methoxy-6-[3-propan-2-yl-5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCOc1cc(-c2[nH]c3ccc(OC4CCN(C(C)C)CC4)nc3c2C(C)C)cn2ncnc12
InChIInChI=1S/C25H32N6O2/c1-15(2)22-23(17-12-20(32-5)25-26-14-27-31(25)13-17)28-19-6-7-21(29-24(19)22)33-18-8-10-30(11-9-18)16(3)4/h6-7,12-16,18,28H,8-11H2,1-5H3
InChIKeyPGJXCSMCXJKOQY-UHFFFAOYSA-N
XLogP4.66
TPSA80.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.57
LogP ≤ 54.66
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)oxy-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)oxy-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine (CID 138686820) is 8-methoxy-6-[3-propan-2-yl-5-(1-propan-2-ylpiperidin-4-yl)oxy-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)oxy-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)oxy-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine is COc1cc(-c2[nH]c3ccc(OC4CCN(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)oxy-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is PGJXCSMCXJKOQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6O2/c1-15(2)22-23(17-12-20(32-5)25-26-14-27-31(25)13-17)28-19-6-7-21(29-24(19)22)33-18-8-10-30(11-9-18)16(3)4/h6-7,12-16,18,28H,8-11H2,1-5H3.
What are the key properties of 8-methoxy-6-[3-propan-2-yl-5-(1-propan-2-ylpiperidin-4-yl)oxy-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)oxy-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 448.57 g/mol, XLogP of 4.66, 6 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)oxy-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 138686820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).