2-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-N-[3-(4,6-dimethylpyrimidin-5-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]acetamide

C25H32N8O2 — CID 176870040

IUPAC2-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-N-[3-(4,6-dimethylpyrimidin-5-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]acetamide
SMILESCc1ncnc(C)c1-c1cc(NC(=O)CN2CCn3ncnc3C2)ccc1OCCN1CCCC1
InChIInChI=1S/C25H32N8O2/c1-18-25(19(2)27-16-26-18)21-13-20(5-6-22(21)35-12-11-31-7-3-4-8-31)30-24(34)15-32-9-10-33-23(14-32)28-17-29-33/h5-6,13,16-17H,3-4,7-12,14-15H2,1-2H3,(H,30,34)
InChIKeyXFAKEZWJBDLZMN-UHFFFAOYSA-N
MW476.59 g/mol
LogP2.28
Rot. Bonds8

About 2-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-N-[3-(4,6-dimethylpyrimidin-5-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]acetamide

2-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-N-[3-(4,6-dimethylpyrimidin-5-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]acetamide (PubChem CID 176870040) has the molecular formula C25H32N8O2 and a molecular weight of 476.59 g/mol. Its IUPAC name is 2-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-N-[3-(4,6-dimethylpyrimidin-5-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-N-[3-(4,6-dimethylpyrimidin-5-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]acetamide
PubChem CID176870040
Molecular FormulaC25H32N8O2
Molecular Weight476.59 g/mol
Exact Mass476.26
IUPAC Name2-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-N-[3-(4,6-dimethylpyrimidin-5-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]acetamide
SMILESCc1ncnc(C)c1-c1cc(NC(=O)CN2CCn3ncnc3C2)ccc1OCCN1CCCC1
InChIInChI=1S/C25H32N8O2/c1-18-25(19(2)27-16-26-18)21-13-20(5-6-22(21)35-12-11-31-7-3-4-8-31)30-24(34)15-32-9-10-33-23(14-32)28-17-29-33/h5-6,13,16-17H,3-4,7-12,14-15H2,1-2H3,(H,30,34)
InChIKeyXFAKEZWJBDLZMN-UHFFFAOYSA-N
XLogP2.28
TPSA101.30 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.59
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-N-[3-(4,6-dimethylpyrimidin-5-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-N-[3-(4,6-dimethylpyrimidin-5-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]acetamide?
The IUPAC name of 2-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-N-[3-(4,6-dimethylpyrimidin-5-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]acetamide (CID 176870040) is 2-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-N-[3-(4,6-dimethylpyrimidin-5-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]acetamide.
What is the SMILES notation for 2-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-N-[3-(4,6-dimethylpyrimidin-5-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]acetamide?
The canonical SMILES for 2-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-N-[3-(4,6-dimethylpyrimidin-5-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]acetamide is Cc1ncnc(C)c1-c1cc(NC(=O)CN2CCn3ncnc3C2)ccc1OCCN1CCCC1.
What is the InChIKey of 2-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-N-[3-(4,6-dimethylpyrimidin-5-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]acetamide?
The InChIKey is XFAKEZWJBDLZMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N8O2/c1-18-25(19(2)27-16-26-18)21-13-20(5-6-22(21)35-12-11-31-7-3-4-8-31)30-24(34)15-32-9-10-33-23(14-32)28-17-29-33/h5-6,13,16-17H,3-4,7-12,14-15H2,1-2H3,(H,30,34).
What are the key properties of 2-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-N-[3-(4,6-dimethylpyrimidin-5-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]acetamide?
2-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-N-[3-(4,6-dimethylpyrimidin-5-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]acetamide has a molecular weight of 476.59 g/mol, XLogP of 2.28, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-N-[3-(4,6-dimethylpyrimidin-5-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]acetamide is sourced from PubChem (CID 176870040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).