N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-3-[(2-methylimidazo[1,2-a]pyrazin-3-yl)amino]propanamide

C20H25N5O — CID 95058400

IUPACN-[(1S)-1-(2,4-dimethylphenyl)ethyl]-3-[(2-methylimidazo[1,2-a]pyrazin-3-yl)amino]propanamide
SMILESCc1ccc([C@H](C)NC(=O)CCNc2c(C)nc3cnccn23)c(C)c1
InChIInChI=1S/C20H25N5O/c1-13-5-6-17(14(2)11-13)15(3)24-19(26)7-8-22-20-16(4)23-18-12-21-9-10-25(18)20/h5-6,9-12,15,22H,7-8H2,1-4H3,(H,24,26)/t15-/m0/s1
InChIKeyIHTJSTRBBXZPTH-HNNXBMFYSA-N
MW351.45 g/mol
LogP3.33
Rot. Bonds6

About N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-3-[(2-methylimidazo[1,2-a]pyrazin-3-yl)amino]propanamide

N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-3-[(2-methylimidazo[1,2-a]pyrazin-3-yl)amino]propanamide (PubChem CID 95058400) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-3-[(2-methylimidazo[1,2-a]pyrazin-3-yl)amino]propanamide.

Molecular Properties

Compound NameN-[(1S)-1-(2,4-dimethylphenyl)ethyl]-3-[(2-methylimidazo[1,2-a]pyrazin-3-yl)amino]propanamide
PubChem CID95058400
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC NameN-[(1S)-1-(2,4-dimethylphenyl)ethyl]-3-[(2-methylimidazo[1,2-a]pyrazin-3-yl)amino]propanamide
SMILESCc1ccc([C@H](C)NC(=O)CCNc2c(C)nc3cnccn23)c(C)c1
InChIInChI=1S/C20H25N5O/c1-13-5-6-17(14(2)11-13)15(3)24-19(26)7-8-22-20-16(4)23-18-12-21-9-10-25(18)20/h5-6,9-12,15,22H,7-8H2,1-4H3,(H,24,26)/t15-/m0/s1
InChIKeyIHTJSTRBBXZPTH-HNNXBMFYSA-N
XLogP3.33
TPSA71.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-3-[(2-methylimidazo[1,2-a]pyrazin-3-yl)amino]propanamide?
The IUPAC name of N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-3-[(2-methylimidazo[1,2-a]pyrazin-3-yl)amino]propanamide (CID 95058400) is N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-3-[(2-methylimidazo[1,2-a]pyrazin-3-yl)amino]propanamide.
What is the SMILES notation for N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-3-[(2-methylimidazo[1,2-a]pyrazin-3-yl)amino]propanamide?
The canonical SMILES for N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-3-[(2-methylimidazo[1,2-a]pyrazin-3-yl)amino]propanamide is Cc1ccc([C@H](C)NC(=O)CCNc2c(C)nc3cnccn23)c(C)c1.
What is the InChIKey of N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-3-[(2-methylimidazo[1,2-a]pyrazin-3-yl)amino]propanamide?
The InChIKey is IHTJSTRBBXZPTH-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H25N5O/c1-13-5-6-17(14(2)11-13)15(3)24-19(26)7-8-22-20-16(4)23-18-12-21-9-10-25(18)20/h5-6,9-12,15,22H,7-8H2,1-4H3,(H,24,26)/t15-/m0/s1.
What are the key properties of N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-3-[(2-methylimidazo[1,2-a]pyrazin-3-yl)amino]propanamide?
N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-3-[(2-methylimidazo[1,2-a]pyrazin-3-yl)amino]propanamide has a molecular weight of 351.45 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-3-[(2-methylimidazo[1,2-a]pyrazin-3-yl)amino]propanamide is sourced from PubChem (CID 95058400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).