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

C26H33N7O3 — CID 138686866

IUPAC2-[4-[[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]oxy]piperidin-1-yl]-N,N-dimethylacetamide
SMILESCOc1cc(-c2[nH]c3ccc(OC4CCN(CC(=O)N(C)C)CC4)nc3c2C(C)C)cn2ncnc12
InChIInChI=1S/C26H33N7O3/c1-16(2)23-24(17-12-20(35-5)26-27-15-28-33(26)13-17)29-19-6-7-21(30-25(19)23)36-18-8-10-32(11-9-18)14-22(34)31(3)4/h6-7,12-13,15-16,18,29H,8-11,14H2,1-5H3
InChIKeyCILAUWXRRPIYEZ-UHFFFAOYSA-N
MW491.60 g/mol
LogP3.34
Rot. Bonds7

About 2-[4-[[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]oxy]piperidin-1-yl]-N,N-dimethylacetamide

2-[4-[[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]oxy]piperidin-1-yl]-N,N-dimethylacetamide (PubChem CID 138686866) has the molecular formula C26H33N7O3 and a molecular weight of 491.60 g/mol. Its IUPAC name is 2-[4-[[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]oxy]piperidin-1-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-[[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]oxy]piperidin-1-yl]-N,N-dimethylacetamide
PubChem CID138686866
Molecular FormulaC26H33N7O3
Molecular Weight491.60 g/mol
Exact Mass491.26
IUPAC Name2-[4-[[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]oxy]piperidin-1-yl]-N,N-dimethylacetamide
SMILESCOc1cc(-c2[nH]c3ccc(OC4CCN(CC(=O)N(C)C)CC4)nc3c2C(C)C)cn2ncnc12
InChIInChI=1S/C26H33N7O3/c1-16(2)23-24(17-12-20(35-5)26-27-15-28-33(26)13-17)29-19-6-7-21(30-25(19)23)36-18-8-10-32(11-9-18)14-22(34)31(3)4/h6-7,12-13,15-16,18,29H,8-11,14H2,1-5H3
InChIKeyCILAUWXRRPIYEZ-UHFFFAOYSA-N
XLogP3.34
TPSA100.88 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.60
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[4-[[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]oxy]piperidin-1-yl]-N,N-dimethylacetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]oxy]piperidin-1-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-[[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]oxy]piperidin-1-yl]-N,N-dimethylacetamide (CID 138686866) is 2-[4-[[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]oxy]piperidin-1-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-[[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]oxy]piperidin-1-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-[[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]oxy]piperidin-1-yl]-N,N-dimethylacetamide is COc1cc(-c2[nH]c3ccc(OC4CCN(CC(=O)N(C)C)CC4)nc3c2C(C)C)cn2ncnc12.
What is the InChIKey of 2-[4-[[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]oxy]piperidin-1-yl]-N,N-dimethylacetamide?
The InChIKey is CILAUWXRRPIYEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N7O3/c1-16(2)23-24(17-12-20(35-5)26-27-15-28-33(26)13-17)29-19-6-7-21(30-25(19)23)36-18-8-10-32(11-9-18)14-22(34)31(3)4/h6-7,12-13,15-16,18,29H,8-11,14H2,1-5H3.
What are the key properties of 2-[4-[[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]oxy]piperidin-1-yl]-N,N-dimethylacetamide?
2-[4-[[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]oxy]piperidin-1-yl]-N,N-dimethylacetamide has a molecular weight of 491.60 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]oxy]piperidin-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 138686866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).