2-[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperidin-1-yl]-N-methylacetamide

C26H33N7O — CID 138686267

IUPAC2-[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperidin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCC(c2ccc3[nH]c(-c4cn5ncnc5c(C)c4C)c(C(C)C)c3n2)CC1
InChIInChI=1S/C26H33N7O/c1-15(2)23-24(19-12-33-26(28-14-29-33)17(4)16(19)3)31-21-7-6-20(30-25(21)23)18-8-10-32(11-9-18)13-22(34)27-5/h6-7,12,14-15,18,31H,8-11,13H2,1-5H3,(H,27,34)
InChIKeyGKWSVUKWYIMUDX-UHFFFAOYSA-N
MW459.60 g/mol
LogP3.94
Rot. Bonds5

About 2-[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperidin-1-yl]-N-methylacetamide

2-[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperidin-1-yl]-N-methylacetamide (PubChem CID 138686267) has the molecular formula C26H33N7O and a molecular weight of 459.60 g/mol. Its IUPAC name is 2-[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperidin-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperidin-1-yl]-N-methylacetamide
PubChem CID138686267
Molecular FormulaC26H33N7O
Molecular Weight459.60 g/mol
Exact Mass459.27
IUPAC Name2-[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperidin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCC(c2ccc3[nH]c(-c4cn5ncnc5c(C)c4C)c(C(C)C)c3n2)CC1
InChIInChI=1S/C26H33N7O/c1-15(2)23-24(19-12-33-26(28-14-29-33)17(4)16(19)3)31-21-7-6-20(30-25(21)23)18-8-10-32(11-9-18)13-22(34)27-5/h6-7,12,14-15,18,31H,8-11,13H2,1-5H3,(H,27,34)
InChIKeyGKWSVUKWYIMUDX-UHFFFAOYSA-N
XLogP3.94
TPSA91.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.60
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperidin-1-yl]-N-methylacetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperidin-1-yl]-N-methylacetamide?
The IUPAC name of 2-[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperidin-1-yl]-N-methylacetamide (CID 138686267) is 2-[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperidin-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperidin-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperidin-1-yl]-N-methylacetamide is CNC(=O)CN1CCC(c2ccc3[nH]c(-c4cn5ncnc5c(C)c4C)c(C(C)C)c3n2)CC1.
What is the InChIKey of 2-[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperidin-1-yl]-N-methylacetamide?
The InChIKey is GKWSVUKWYIMUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N7O/c1-15(2)23-24(19-12-33-26(28-14-29-33)17(4)16(19)3)31-21-7-6-20(30-25(21)23)18-8-10-32(11-9-18)13-22(34)27-5/h6-7,12,14-15,18,31H,8-11,13H2,1-5H3,(H,27,34).
What are the key properties of 2-[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperidin-1-yl]-N-methylacetamide?
2-[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperidin-1-yl]-N-methylacetamide has a molecular weight of 459.60 g/mol, XLogP of 3.94, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperidin-1-yl]-N-methylacetamide is sourced from PubChem (CID 138686267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).