N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-5-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyrazine-2-carboxamide

C21H26N8O — CID 166507653

IUPACN-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-5-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyrazine-2-carboxamide
SMILESCc1cn2cc(NC(=O)c3cnc(N4CC[C@H](N5CCCC5)C4)cn3)nc(C)c2n1
InChIInChI=1S/C21H26N8O/c1-14-11-29-13-18(25-15(2)20(29)24-14)26-21(30)17-9-23-19(10-22-17)28-8-5-16(12-28)27-6-3-4-7-27/h9-11,13,16H,3-8,12H2,1-2H3,(H,26,30)/t16-/m0/s1
InChIKeyCCVGJFMIXXUTDH-INIZCTEOSA-N
MW406.49 g/mol
LogP2.06
Rot. Bonds4

About N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-5-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyrazine-2-carboxamide

N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-5-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyrazine-2-carboxamide (PubChem CID 166507653) has the molecular formula C21H26N8O and a molecular weight of 406.49 g/mol. Its IUPAC name is N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-5-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-5-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyrazine-2-carboxamide
PubChem CID166507653
Molecular FormulaC21H26N8O
Molecular Weight406.49 g/mol
Exact Mass406.22
IUPAC NameN-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-5-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyrazine-2-carboxamide
SMILESCc1cn2cc(NC(=O)c3cnc(N4CC[C@H](N5CCCC5)C4)cn3)nc(C)c2n1
InChIInChI=1S/C21H26N8O/c1-14-11-29-13-18(25-15(2)20(29)24-14)26-21(30)17-9-23-19(10-22-17)28-8-5-16(12-28)27-6-3-4-7-27/h9-11,13,16H,3-8,12H2,1-2H3,(H,26,30)/t16-/m0/s1
InChIKeyCCVGJFMIXXUTDH-INIZCTEOSA-N
XLogP2.06
TPSA91.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-[3-[(cyclopropylamino)methyl]-3-fluoropyrrolidin-1-yl]-N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)pyrazine-2-carboxamide
CID 166507780
5-[(3S)-3-(cyclopropylmethylamino)pyrrolidin-1-yl]-N-(8-methoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)pyrazine-2-carboxamide
CID 166507583
methyl 5-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyrazine-2-carboxylate
CID 166507892
5-[3-[(cyclopropylamino)methyl]azetidin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyrazin-6-yl)pyrazine-2-carboxamide
CID 167273203
N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-[(1R,5S)-6-pyrrolidin-1-yl-3-azabicyclo[3.1.0]hexan-3-yl]pyrazine-2-carboxamide
CID 168758548
N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)pyrazine-2-carboxamide
CID 175963725
N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-pyrrolidin-1-ylpyrazine-2-carboxamide
CID 166848042
N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrazine-2-carboxamide
CID 166507526
5-[(3R)-3-(ethylamino)pyrrolidin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxamide
CID 166507752
5-(2-cyclopropyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxamide
CID 166507512
6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 177202673
N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-4-ethoxy-2-[4-(methylamino)piperidin-1-yl]pyrimidine-5-carboxamide
CID 177108736

Frequently Asked Questions

What is the IUPAC name of N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-5-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyrazine-2-carboxamide?
The IUPAC name of N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-5-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyrazine-2-carboxamide (CID 166507653) is N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-5-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-5-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-5-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyrazine-2-carboxamide is Cc1cn2cc(NC(=O)c3cnc(N4CC[C@H](N5CCCC5)C4)cn3)nc(C)c2n1.
What is the InChIKey of N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-5-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyrazine-2-carboxamide?
The InChIKey is CCVGJFMIXXUTDH-INIZCTEOSA-N. The full InChI is InChI=1S/C21H26N8O/c1-14-11-29-13-18(25-15(2)20(29)24-14)26-21(30)17-9-23-19(10-22-17)28-8-5-16(12-28)27-6-3-4-7-27/h9-11,13,16H,3-8,12H2,1-2H3,(H,26,30)/t16-/m0/s1.
What are the key properties of N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-5-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyrazine-2-carboxamide?
N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-5-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyrazine-2-carboxamide has a molecular weight of 406.49 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-5-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 166507653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).