(2S)-3-[imidazo[1,2-a]pyrazin-8-yl(methyl)amino]-N,2-dimethylpropanamide

C12H17N5O — CID 164641079

IUPAC(2S)-3-[imidazo[1,2-a]pyrazin-8-yl(methyl)amino]-N,2-dimethylpropanamide
SMILESCNC(=O)[C@@H](C)CN(C)c1nccn2ccnc12
InChIInChI=1S/C12H17N5O/c1-9(12(18)13-2)8-16(3)10-11-15-5-7-17(11)6-4-14-10/h4-7,9H,8H2,1-3H3,(H,13,18)/t9-/m0/s1
InChIKeyFBMCSPNMQATGMF-VIFPVBQESA-N
MW247.30 g/mol
LogP0.55
Rot. Bonds4

About (2S)-3-[imidazo[1,2-a]pyrazin-8-yl(methyl)amino]-N,2-dimethylpropanamide

(2S)-3-[imidazo[1,2-a]pyrazin-8-yl(methyl)amino]-N,2-dimethylpropanamide (PubChem CID 164641079) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is (2S)-3-[imidazo[1,2-a]pyrazin-8-yl(methyl)amino]-N,2-dimethylpropanamide.

Molecular Properties

Compound Name(2S)-3-[imidazo[1,2-a]pyrazin-8-yl(methyl)amino]-N,2-dimethylpropanamide
PubChem CID164641079
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name(2S)-3-[imidazo[1,2-a]pyrazin-8-yl(methyl)amino]-N,2-dimethylpropanamide
SMILESCNC(=O)[C@@H](C)CN(C)c1nccn2ccnc12
InChIInChI=1S/C12H17N5O/c1-9(12(18)13-2)8-16(3)10-11-15-5-7-17(11)6-4-14-10/h4-7,9H,8H2,1-3H3,(H,13,18)/t9-/m0/s1
InChIKeyFBMCSPNMQATGMF-VIFPVBQESA-N
XLogP0.55
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-[imidazo[1,2-a]pyrazin-8-yl(methyl)amino]-N,2-dimethylpropanamide?
The IUPAC name of (2S)-3-[imidazo[1,2-a]pyrazin-8-yl(methyl)amino]-N,2-dimethylpropanamide (CID 164641079) is (2S)-3-[imidazo[1,2-a]pyrazin-8-yl(methyl)amino]-N,2-dimethylpropanamide.
What is the SMILES notation for (2S)-3-[imidazo[1,2-a]pyrazin-8-yl(methyl)amino]-N,2-dimethylpropanamide?
The canonical SMILES for (2S)-3-[imidazo[1,2-a]pyrazin-8-yl(methyl)amino]-N,2-dimethylpropanamide is CNC(=O)[C@@H](C)CN(C)c1nccn2ccnc12.
What is the InChIKey of (2S)-3-[imidazo[1,2-a]pyrazin-8-yl(methyl)amino]-N,2-dimethylpropanamide?
The InChIKey is FBMCSPNMQATGMF-VIFPVBQESA-N. The full InChI is InChI=1S/C12H17N5O/c1-9(12(18)13-2)8-16(3)10-11-15-5-7-17(11)6-4-14-10/h4-7,9H,8H2,1-3H3,(H,13,18)/t9-/m0/s1.
What are the key properties of (2S)-3-[imidazo[1,2-a]pyrazin-8-yl(methyl)amino]-N,2-dimethylpropanamide?
(2S)-3-[imidazo[1,2-a]pyrazin-8-yl(methyl)amino]-N,2-dimethylpropanamide has a molecular weight of 247.30 g/mol, XLogP of 0.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-[imidazo[1,2-a]pyrazin-8-yl(methyl)amino]-N,2-dimethylpropanamide is sourced from PubChem (CID 164641079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).