methyl (2S)-2-amino-3-[8-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)imidazo[1,2-a]pyridin-5-yl]propanoate

C18H21N5O4 — CID 146633127

IUPACmethyl (2S)-2-amino-3-[8-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)imidazo[1,2-a]pyridin-5-yl]propanoate
SMILESCOC(=O)[C@@H](N)Cc1ccc(-c2c(C)n(C)c(=O)n(C)c2=O)c2nccn12
InChIInChI=1S/C18H21N5O4/c1-10-14(16(24)22(3)18(26)21(10)2)12-6-5-11(9-13(19)17(25)27-4)23-8-7-20-15(12)23/h5-8,13H,9,19H2,1-4H3/t13-/m0/s1
InChIKeyYZFPAPZNYRKSCI-ZDUSSCGKSA-N
MW371.40 g/mol
LogP-0.25
Rot. Bonds4

About methyl (2S)-2-amino-3-[8-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)imidazo[1,2-a]pyridin-5-yl]propanoate

methyl (2S)-2-amino-3-[8-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)imidazo[1,2-a]pyridin-5-yl]propanoate (PubChem CID 146633127) has the molecular formula C18H21N5O4 and a molecular weight of 371.40 g/mol. Its IUPAC name is methyl (2S)-2-amino-3-[8-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)imidazo[1,2-a]pyridin-5-yl]propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-amino-3-[8-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)imidazo[1,2-a]pyridin-5-yl]propanoate
PubChem CID146633127
Molecular FormulaC18H21N5O4
Molecular Weight371.40 g/mol
Exact Mass371.16
IUPAC Namemethyl (2S)-2-amino-3-[8-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)imidazo[1,2-a]pyridin-5-yl]propanoate
SMILESCOC(=O)[C@@H](N)Cc1ccc(-c2c(C)n(C)c(=O)n(C)c2=O)c2nccn12
InChIInChI=1S/C18H21N5O4/c1-10-14(16(24)22(3)18(26)21(10)2)12-6-5-11(9-13(19)17(25)27-4)23-8-7-20-15(12)23/h5-8,13H,9,19H2,1-4H3/t13-/m0/s1
InChIKeyYZFPAPZNYRKSCI-ZDUSSCGKSA-N
XLogP-0.25
TPSA113.62 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

6-[2-(7-Methylimidazo[1,2-a]pyridin-2-yl)ethylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 16195020
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CID 10596693
3-[2-(Dipropylamino)-2-oxoethyl]-2-phenylimidazo[1,2-a]pyridine-6-carboxamide
CID 10785916
2-(2-phenylimidazo[1,2-a]pyridin-3-yl)-N-propylacetamide
CID 10827581
2-(8-amino-2-phenylimidazo[1,2-a]pyridin-3-yl)-N,N-dipropylacetamide
CID 11792170
N-cyclopropyl-4-(8-((tetrahydro-2H-pyran-4-yl)methylamino)imidazo[1,2-a]pyrazin-3-yl)benzamide
CID 50914591
2-(Imidazo[1,2-a]pyridin-2-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 5310048
methyl (2S)-2-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]-3-(1H-indol-2-yl)propanoate
CID 90682808
4-[8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]-N-propan-2-ylbenzamide
CID 118732114
Methyl 8-[[5-[[7-cyclopentyl-6-(dimethylcarbamoyl)pyrrolo[2,3-d]pyrimidin-2-yl]amino]-2-pyridinyl]amino]-8-oxooctanoate
CID 137655899
(6-Amino-2-phenyl-imidazo[1,2-a]pyridin-3-yl)-acetic acid ethyl ester
CID 10541904
(6-Methyl-2-phenyl-imidazo[1,2-a]pyridin-3-yl)-acetic acid butyl ester
CID 10567857

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-amino-3-[8-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)imidazo[1,2-a]pyridin-5-yl]propanoate?
The IUPAC name of methyl (2S)-2-amino-3-[8-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)imidazo[1,2-a]pyridin-5-yl]propanoate (CID 146633127) is methyl (2S)-2-amino-3-[8-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)imidazo[1,2-a]pyridin-5-yl]propanoate.
What is the SMILES notation for methyl (2S)-2-amino-3-[8-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)imidazo[1,2-a]pyridin-5-yl]propanoate?
The canonical SMILES for methyl (2S)-2-amino-3-[8-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)imidazo[1,2-a]pyridin-5-yl]propanoate is COC(=O)[C@@H](N)Cc1ccc(-c2c(C)n(C)c(=O)n(C)c2=O)c2nccn12.
What is the InChIKey of methyl (2S)-2-amino-3-[8-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)imidazo[1,2-a]pyridin-5-yl]propanoate?
The InChIKey is YZFPAPZNYRKSCI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H21N5O4/c1-10-14(16(24)22(3)18(26)21(10)2)12-6-5-11(9-13(19)17(25)27-4)23-8-7-20-15(12)23/h5-8,13H,9,19H2,1-4H3/t13-/m0/s1.
What are the key properties of methyl (2S)-2-amino-3-[8-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)imidazo[1,2-a]pyridin-5-yl]propanoate?
methyl (2S)-2-amino-3-[8-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)imidazo[1,2-a]pyridin-5-yl]propanoate has a molecular weight of 371.40 g/mol, XLogP of -0.25, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-amino-3-[8-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)imidazo[1,2-a]pyridin-5-yl]propanoate is sourced from PubChem (CID 146633127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).