2-[5-(1-adamantylmethylcarbamoyl)imidazo[1,2-a]pyridin-2-yl]acetic acid;N-(1-adamantylmethyl)-2-(2-oxopropyl)imidazo[1,2-a]pyridine-5-carboxamide;ethyl 2-[5-(1-adamantylmethylcarbamoyl)imidazo[1,2-a]pyridin-2-yl]acetate

C66H81N9O8 — CID 160557895

IUPAC2-[5-(1-adamantylmethylcarbamoyl)imidazo[1,2-a]pyridin-2-yl]acetic acid;N-(1-adamantylmethyl)-2-(2-oxopropyl)imidazo[1,2-a]pyridine-5-carboxamide;ethyl 2-[5-(1-adamantylmethylcarbamoyl)imidazo[1,2-a]pyridin-2-yl]acetate
SMILESCC(=O)Cc1cn2c(C(=O)NCC34CC5CC(CC(C5)C3)C4)cccc2n1.CCOC(=O)Cc1cn2c(C(=O)NCC34CC5CC(CC(C5)C3)C4)cccc2n1.O=C(O)Cc1cn2c(C(=O)NCC34CC5CC(CC(C5)C3)C4)cccc2n1
InChIInChI=1S/C23H29N3O3.C22H27N3O2.C21H25N3O3/c1-2-29-21(27)9-18-13-26-19(4-3-5-20(26)25-18)22(28)24-14-23-10-15-6-16(11-23)8-17(7-15)12-23;1-14(26)5-18-12-25-19(3-2-4-20(25)24-18)21(27)23-13-22-9-15-6-16(10-22)8-17(7-15)11-22;25-19(26)7-16-11-24-17(2-1-3-18(24)23-16)20(27)22-12-21-8-13-4-14(9-21)6-15(5-13)10-21/h3-5,13,15-17H,2,6-12,14H2,1H3,(H,24,28);2-4,12,15-17H,5-11,13H2,1H3,(H,23,27);1-3,11,13-15H,4-10,12H2,(H,22,27)(H,25,26)
InChIKeyQYXUPQGERJWIPQ-UHFFFAOYSA-N
MW1128.43 g/mol
LogP9.71
Rot. Bonds16

About 2-[5-(1-adamantylmethylcarbamoyl)imidazo[1,2-a]pyridin-2-yl]acetic acid;N-(1-adamantylmethyl)-2-(2-oxopropyl)imidazo[1,2-a]pyridine-5-carboxamide;ethyl 2-[5-(1-adamantylmethylcarbamoyl)imidazo[1,2-a]pyridin-2-yl]acetate

2-[5-(1-adamantylmethylcarbamoyl)imidazo[1,2-a]pyridin-2-yl]acetic acid;N-(1-adamantylmethyl)-2-(2-oxopropyl)imidazo[1,2-a]pyridine-5-carboxamide;ethyl 2-[5-(1-adamantylmethylcarbamoyl)imidazo[1,2-a]pyridin-2-yl]acetate (PubChem CID 160557895) has the molecular formula C66H81N9O8 and a molecular weight of 1128.43 g/mol. Its IUPAC name is 2-[5-(1-adamantylmethylcarbamoyl)imidazo[1,2-a]pyridin-2-yl]acetic acid;N-(1-adamantylmethyl)-2-(2-oxopropyl)imidazo[1,2-a]pyridine-5-carboxamide;ethyl 2-[5-(1-adamantylmethylcarbamoyl)imidazo[1,2-a]pyridin-2-yl]acetate.

Molecular Properties

Compound Name2-[5-(1-adamantylmethylcarbamoyl)imidazo[1,2-a]pyridin-2-yl]acetic acid;N-(1-adamantylmethyl)-2-(2-oxopropyl)imidazo[1,2-a]pyridine-5-carboxamide;ethyl 2-[5-(1-adamantylmethylcarbamoyl)imidazo[1,2-a]pyridin-2-yl]acetate
PubChem CID160557895
Molecular FormulaC66H81N9O8
Molecular Weight1128.43 g/mol
Exact Mass1127.62
IUPAC Name2-[5-(1-adamantylmethylcarbamoyl)imidazo[1,2-a]pyridin-2-yl]acetic acid;N-(1-adamantylmethyl)-2-(2-oxopropyl)imidazo[1,2-a]pyridine-5-carboxamide;ethyl 2-[5-(1-adamantylmethylcarbamoyl)imidazo[1,2-a]pyridin-2-yl]acetate
SMILESCC(=O)Cc1cn2c(C(=O)NCC34CC5CC(CC(C5)C3)C4)cccc2n1.CCOC(=O)Cc1cn2c(C(=O)NCC34CC5CC(CC(C5)C3)C4)cccc2n1.O=C(O)Cc1cn2c(C(=O)NCC34CC5CC(CC(C5)C3)C4)cccc2n1
InChIInChI=1S/C23H29N3O3.C22H27N3O2.C21H25N3O3/c1-2-29-21(27)9-18-13-26-19(4-3-5-20(26)25-18)22(28)24-14-23-10-15-6-16(11-23)8-17(7-15)12-23;1-14(26)5-18-12-25-19(3-2-4-20(25)24-18)21(27)23-13-22-9-15-6-16(10-22)8-17(7-15)11-22;25-19(26)7-16-11-24-17(2-1-3-18(24)23-16)20(27)22-12-21-8-13-4-14(9-21)6-15(5-13)10-21/h3-5,13,15-17H,2,6-12,14H2,1H3,(H,24,28);2-4,12,15-17H,5-11,13H2,1H3,(H,23,27);1-3,11,13-15H,4-10,12H2,(H,22,27)(H,25,26)
InChIKeyQYXUPQGERJWIPQ-UHFFFAOYSA-N
XLogP9.71
TPSA219.87 Ų
H-Bond Donors4
H-Bond Acceptors13
Rotatable Bonds16
Heavy Atoms83
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001128.43
LogP ≤ 59.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1013

Analyze 2-[5-(1-adamantylmethylcarbamoyl)imidazo[1,2-a]pyridin-2-yl]acetic acid;N-(1-adamantylmethyl)-2-(2-oxopropyl)imidazo[1,2-a]pyridine-5-carboxamide;ethyl 2-[5-(1-adamantylmethylcarbamoyl)imidazo[1,2-a]pyridin-2-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Methyl 2-[5-[(4-aminophenyl)methyl]imidazo[1,2-c]pyrimidin-8-yl]acetate;methyl 2-[5-[[4-[[4-(trifluoromethyl)benzoyl]amino]phenyl]methyl]imidazo[1,2-c]pyrimidin-8-yl]acetate;2-[5-[[4-[[4-(trifluoromethyl)benzoyl]amino]phenyl]methyl]imidazo[1,2-c]pyrimidin-8-yl]acetic acid
CID 157089752
{5-[(Adamantan-1-ylmethyl)-carbamoyl]-imidazo[1,2-A]pyridin-2-YL}-acetic acid ethyl ester
CID 25269403
2-(2-Hydroxy-ethyl)-imidazo[1,2-A]pyridine-5-carboxylic acid (adamantan-1-ylmethyl)-amide
CID 25269405
{5-[(Adamantan-1-ylmethyl)-carbamoyl]-imidazo[1,2-a]pyridin-2-yl}-acetic acid
CID 25270079
N-(1-adamantylmethyl)-2-[2-(3-hydroxypropylamino)-2-oxoethyl]imidazo[1,2-a]pyridine-5-carboxamide
CID 25270757
N-(1-adamantylmethyl)-2-[2-(3-hydroxybutylamino)-2-oxoethyl]imidazo[1,2-a]pyridine-5-carboxamide
CID 25270761
N-(1-adamantylmethyl)-2-[2-[4-(methoxymethyl)piperidin-1-yl]-2-oxoethyl]imidazo[1,2-a]pyridine-5-carboxamide
CID 25271100
N-(1-adamantylmethyl)-2-[2-[4-(2-methoxyethyl)piperidin-1-yl]-2-oxoethyl]imidazo[1,2-a]pyridine-5-carboxamide
CID 25271101
N-(1-adamantylmethyl)-2-[2-[methyl(oxolan-3-yl)amino]-2-oxoethyl]imidazo[1,2-a]pyridine-5-carboxamide
CID 25271103
N-(1-adamantylmethyl)-2-[2-(4-methoxypiperidin-1-yl)-2-oxoethyl]imidazo[1,2-a]pyridine-5-carboxamide
CID 25271435
1-N,4-N-bis[(3S,5S)-1-[(2S)-2-[[(2S)-2-(methylamino)propanoyl]amino]-2-(oxan-4-yl)acetyl]-5-(5-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-3-yl]benzene-1,4-dicarboxamide
CID 44633378
Ethyl 2-[5-(1-adamantylmethylcarbamoyl)imidazo[1,2-a]pyridin-2-yl]-3-phenylpropanoate
CID 59451891

Frequently Asked Questions

What is the IUPAC name of 2-[5-(1-adamantylmethylcarbamoyl)imidazo[1,2-a]pyridin-2-yl]acetic acid;N-(1-adamantylmethyl)-2-(2-oxopropyl)imidazo[1,2-a]pyridine-5-carboxamide;ethyl 2-[5-(1-adamantylmethylcarbamoyl)imidazo[1,2-a]pyridin-2-yl]acetate?
The IUPAC name of 2-[5-(1-adamantylmethylcarbamoyl)imidazo[1,2-a]pyridin-2-yl]acetic acid;N-(1-adamantylmethyl)-2-(2-oxopropyl)imidazo[1,2-a]pyridine-5-carboxamide;ethyl 2-[5-(1-adamantylmethylcarbamoyl)imidazo[1,2-a]pyridin-2-yl]acetate (CID 160557895) is 2-[5-(1-adamantylmethylcarbamoyl)imidazo[1,2-a]pyridin-2-yl]acetic acid;N-(1-adamantylmethyl)-2-(2-oxopropyl)imidazo[1,2-a]pyridine-5-carboxamide;ethyl 2-[5-(1-adamantylmethylcarbamoyl)imidazo[1,2-a]pyridin-2-yl]acetate.
What is the SMILES notation for 2-[5-(1-adamantylmethylcarbamoyl)imidazo[1,2-a]pyridin-2-yl]acetic acid;N-(1-adamantylmethyl)-2-(2-oxopropyl)imidazo[1,2-a]pyridine-5-carboxamide;ethyl 2-[5-(1-adamantylmethylcarbamoyl)imidazo[1,2-a]pyridin-2-yl]acetate?
The canonical SMILES for 2-[5-(1-adamantylmethylcarbamoyl)imidazo[1,2-a]pyridin-2-yl]acetic acid;N-(1-adamantylmethyl)-2-(2-oxopropyl)imidazo[1,2-a]pyridine-5-carboxamide;ethyl 2-[5-(1-adamantylmethylcarbamoyl)imidazo[1,2-a]pyridin-2-yl]acetate is CC(=O)Cc1cn2c(C(=O)NCC34CC5CC(CC(C5)C3)C4)cccc2n1.CCOC(=O)Cc1cn2c(C(=O)NCC34CC5CC(CC(C5)C3)C4)cccc2n1.O=C(O)Cc1cn2c(C(=O)NCC34CC5CC(CC(C5)C3)C4)cccc2n1.
What is the InChIKey of 2-[5-(1-adamantylmethylcarbamoyl)imidazo[1,2-a]pyridin-2-yl]acetic acid;N-(1-adamantylmethyl)-2-(2-oxopropyl)imidazo[1,2-a]pyridine-5-carboxamide;ethyl 2-[5-(1-adamantylmethylcarbamoyl)imidazo[1,2-a]pyridin-2-yl]acetate?
The InChIKey is QYXUPQGERJWIPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3.C22H27N3O2.C21H25N3O3/c1-2-29-21(27)9-18-13-26-19(4-3-5-20(26)25-18)22(28)24-14-23-10-15-6-16(11-23)8-17(7-15)12-23;1-14(26)5-18-12-25-19(3-2-4-20(25)24-18)21(27)23-13-22-9-15-6-16(10-22)8-17(7-15)11-22;25-19(26)7-16-11-24-17(2-1-3-18(24)23-16)20(27)22-12-21-8-13-4-14(9-21)6-15(5-13)10-21/h3-5,13,15-17H,2,6-12,14H2,1H3,(H,24,28);2-4,12,15-17H,5-11,13H2,1H3,(H,23,27);1-3,11,13-15H,4-10,12H2,(H,22,27)(H,25,26).
What are the key properties of 2-[5-(1-adamantylmethylcarbamoyl)imidazo[1,2-a]pyridin-2-yl]acetic acid;N-(1-adamantylmethyl)-2-(2-oxopropyl)imidazo[1,2-a]pyridine-5-carboxamide;ethyl 2-[5-(1-adamantylmethylcarbamoyl)imidazo[1,2-a]pyridin-2-yl]acetate?
2-[5-(1-adamantylmethylcarbamoyl)imidazo[1,2-a]pyridin-2-yl]acetic acid;N-(1-adamantylmethyl)-2-(2-oxopropyl)imidazo[1,2-a]pyridine-5-carboxamide;ethyl 2-[5-(1-adamantylmethylcarbamoyl)imidazo[1,2-a]pyridin-2-yl]acetate has a molecular weight of 1128.43 g/mol, XLogP of 9.71, 16 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1-adamantylmethylcarbamoyl)imidazo[1,2-a]pyridin-2-yl]acetic acid;N-(1-adamantylmethyl)-2-(2-oxopropyl)imidazo[1,2-a]pyridine-5-carboxamide;ethyl 2-[5-(1-adamantylmethylcarbamoyl)imidazo[1,2-a]pyridin-2-yl]acetate is sourced from PubChem (CID 160557895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).