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

C26H33N7O2 — CID 138686270

IUPAC8-methoxy-6-[5-[4-(oxan-4-yl)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(C5CCOCC5)CC4)nc3c2C(C)C)cn2ncnc12
InChIInChI=1S/C26H33N7O2/c1-17(2)23-24(18-14-21(34-3)26-27-16-28-33(26)15-18)29-20-4-5-22(30-25(20)23)32-10-8-31(9-11-32)19-6-12-35-13-7-19/h4-5,14-17,19,29H,6-13H2,1-3H3
InChIKeyHHTYZRCCHCQAOS-UHFFFAOYSA-N
MW475.60 g/mol
LogP3.71
Rot. Bonds5

About 8-methoxy-6-[5-[4-(oxan-4-yl)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-(oxan-4-yl)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 138686270) has the molecular formula C26H33N7O2 and a molecular weight of 475.60 g/mol. Its IUPAC name is 8-methoxy-6-[5-[4-(oxan-4-yl)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-(oxan-4-yl)piperazin-1-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID138686270
Molecular FormulaC26H33N7O2
Molecular Weight475.60 g/mol
Exact Mass475.27
IUPAC Name8-methoxy-6-[5-[4-(oxan-4-yl)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(C5CCOCC5)CC4)nc3c2C(C)C)cn2ncnc12
InChIInChI=1S/C26H33N7O2/c1-17(2)23-24(18-14-21(34-3)26-27-16-28-33(26)15-18)29-20-4-5-22(30-25(20)23)32-10-8-31(9-11-32)19-6-12-35-13-7-19/h4-5,14-17,19,29H,6-13H2,1-3H3
InChIKeyHHTYZRCCHCQAOS-UHFFFAOYSA-N
XLogP3.71
TPSA83.81 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.60
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-6-[5-[4-(oxan-4-yl)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-(oxan-4-yl)piperazin-1-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine (CID 138686270) is 8-methoxy-6-[5-[4-(oxan-4-yl)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-(oxan-4-yl)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-(oxan-4-yl)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(C5CCOCC5)CC4)nc3c2C(C)C)cn2ncnc12.
What is the InChIKey of 8-methoxy-6-[5-[4-(oxan-4-yl)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 HHTYZRCCHCQAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N7O2/c1-17(2)23-24(18-14-21(34-3)26-27-16-28-33(26)15-18)29-20-4-5-22(30-25(20)23)32-10-8-31(9-11-32)19-6-12-35-13-7-19/h4-5,14-17,19,29H,6-13H2,1-3H3.
What are the key properties of 8-methoxy-6-[5-[4-(oxan-4-yl)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-(oxan-4-yl)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 475.60 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-6-[5-[4-(oxan-4-yl)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 138686270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).