2-(8-methylimidazo[1,2-a]pyridin-3-yl)-N-[3-(tetrazol-2-yl)-1-adamantyl]acetamide

C21H25N7O — CID 131902137

IUPAC2-(8-methylimidazo[1,2-a]pyridin-3-yl)-N-[3-(tetrazol-2-yl)-1-adamantyl]acetamide
SMILESCc1cccn2c(CC(=O)NC34CC5CC(C3)CC(n3ncnn3)(C5)C4)cnc12
InChIInChI=1S/C21H25N7O/c1-14-3-2-4-27-17(11-22-19(14)27)6-18(29)25-20-7-15-5-16(8-20)10-21(9-15,12-20)28-24-13-23-26-28/h2-4,11,13,15-16H,5-10,12H2,1H3,(H,25,29)
InChIKeyRMTVDASWOXBIKY-UHFFFAOYSA-N
MW391.48 g/mol
LogP2.04
Rot. Bonds4

About 2-(8-methylimidazo[1,2-a]pyridin-3-yl)-N-[3-(tetrazol-2-yl)-1-adamantyl]acetamide

2-(8-methylimidazo[1,2-a]pyridin-3-yl)-N-[3-(tetrazol-2-yl)-1-adamantyl]acetamide (PubChem CID 131902137) has the molecular formula C21H25N7O and a molecular weight of 391.48 g/mol. Its IUPAC name is 2-(8-methylimidazo[1,2-a]pyridin-3-yl)-N-[3-(tetrazol-2-yl)-1-adamantyl]acetamide.

Molecular Properties

Compound Name2-(8-methylimidazo[1,2-a]pyridin-3-yl)-N-[3-(tetrazol-2-yl)-1-adamantyl]acetamide
PubChem CID131902137
Molecular FormulaC21H25N7O
Molecular Weight391.48 g/mol
Exact Mass391.21
IUPAC Name2-(8-methylimidazo[1,2-a]pyridin-3-yl)-N-[3-(tetrazol-2-yl)-1-adamantyl]acetamide
SMILESCc1cccn2c(CC(=O)NC34CC5CC(C3)CC(n3ncnn3)(C5)C4)cnc12
InChIInChI=1S/C21H25N7O/c1-14-3-2-4-27-17(11-22-19(14)27)6-18(29)25-20-7-15-5-16(8-20)10-21(9-15,12-20)28-24-13-23-26-28/h2-4,11,13,15-16H,5-10,12H2,1H3,(H,25,29)
InChIKeyRMTVDASWOXBIKY-UHFFFAOYSA-N
XLogP2.04
TPSA90.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(8-methylimidazo[1,2-a]pyridin-3-yl)-N-[3-(tetrazol-2-yl)-1-adamantyl]acetamide?
The IUPAC name of 2-(8-methylimidazo[1,2-a]pyridin-3-yl)-N-[3-(tetrazol-2-yl)-1-adamantyl]acetamide (CID 131902137) is 2-(8-methylimidazo[1,2-a]pyridin-3-yl)-N-[3-(tetrazol-2-yl)-1-adamantyl]acetamide.
What is the SMILES notation for 2-(8-methylimidazo[1,2-a]pyridin-3-yl)-N-[3-(tetrazol-2-yl)-1-adamantyl]acetamide?
The canonical SMILES for 2-(8-methylimidazo[1,2-a]pyridin-3-yl)-N-[3-(tetrazol-2-yl)-1-adamantyl]acetamide is Cc1cccn2c(CC(=O)NC34CC5CC(C3)CC(n3ncnn3)(C5)C4)cnc12.
What is the InChIKey of 2-(8-methylimidazo[1,2-a]pyridin-3-yl)-N-[3-(tetrazol-2-yl)-1-adamantyl]acetamide?
The InChIKey is RMTVDASWOXBIKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N7O/c1-14-3-2-4-27-17(11-22-19(14)27)6-18(29)25-20-7-15-5-16(8-20)10-21(9-15,12-20)28-24-13-23-26-28/h2-4,11,13,15-16H,5-10,12H2,1H3,(H,25,29).
What are the key properties of 2-(8-methylimidazo[1,2-a]pyridin-3-yl)-N-[3-(tetrazol-2-yl)-1-adamantyl]acetamide?
2-(8-methylimidazo[1,2-a]pyridin-3-yl)-N-[3-(tetrazol-2-yl)-1-adamantyl]acetamide has a molecular weight of 391.48 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-methylimidazo[1,2-a]pyridin-3-yl)-N-[3-(tetrazol-2-yl)-1-adamantyl]acetamide is sourced from PubChem (CID 131902137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).