5-[3-[(cyclopropylamino)methyl]-3-fluoropyrrolidin-1-yl]-N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)pyrazine-2-carboxamide

C21H25FN8O — CID 166507780

IUPAC5-[3-[(cyclopropylamino)methyl]-3-fluoropyrrolidin-1-yl]-N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)pyrazine-2-carboxamide
SMILESCc1cn2cc(NC(=O)c3cnc(N4CCC(F)(CNC5CC5)C4)cn3)nc(C)c2n1
InChIInChI=1S/C21H25FN8O/c1-13-9-30-10-17(27-14(2)19(30)26-13)28-20(31)16-7-24-18(8-23-16)29-6-5-21(22,12-29)11-25-15-3-4-15/h7-10,15,25H,3-6,11-12H2,1-2H3,(H,28,31)
InChIKeyICWJEIMALBQBGF-UHFFFAOYSA-N
MW424.48 g/mol
LogP2.06
Rot. Bonds6

About 5-[3-[(cyclopropylamino)methyl]-3-fluoropyrrolidin-1-yl]-N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)pyrazine-2-carboxamide

5-[3-[(cyclopropylamino)methyl]-3-fluoropyrrolidin-1-yl]-N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)pyrazine-2-carboxamide (PubChem CID 166507780) has the molecular formula C21H25FN8O and a molecular weight of 424.48 g/mol. Its IUPAC name is 5-[3-[(cyclopropylamino)methyl]-3-fluoropyrrolidin-1-yl]-N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[3-[(cyclopropylamino)methyl]-3-fluoropyrrolidin-1-yl]-N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)pyrazine-2-carboxamide
PubChem CID166507780
Molecular FormulaC21H25FN8O
Molecular Weight424.48 g/mol
Exact Mass424.21
IUPAC Name5-[3-[(cyclopropylamino)methyl]-3-fluoropyrrolidin-1-yl]-N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)pyrazine-2-carboxamide
SMILESCc1cn2cc(NC(=O)c3cnc(N4CCC(F)(CNC5CC5)C4)cn3)nc(C)c2n1
InChIInChI=1S/C21H25FN8O/c1-13-9-30-10-17(27-14(2)19(30)26-13)28-20(31)16-7-24-18(8-23-16)29-6-5-21(22,12-29)11-25-15-3-4-15/h7-10,15,25H,3-6,11-12H2,1-2H3,(H,28,31)
InChIKeyICWJEIMALBQBGF-UHFFFAOYSA-N
XLogP2.06
TPSA100.34 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.48
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

5-[3-[(cyclopropylamino)methyl]azetidin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyrazin-6-yl)pyrazine-2-carboxamide
CID 167273203
N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-5-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyrazine-2-carboxamide
CID 166507653
5-[(3S)-3-(cyclopropylmethylamino)pyrrolidin-1-yl]-N-(8-methoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)pyrazine-2-carboxamide
CID 166507583
N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-(1-methyl-1,7-diazaspiro[4.4]nonan-7-yl)pyrazine-2-carboxamide
CID 166507669
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-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)pyrazine-2-carboxamide
CID 166508029
N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)pyrazine-2-carboxamide
CID 166508079
5-[(3R)-3-(ethylamino)pyrrolidin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxamide
CID 166507752
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
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)-4-ethoxy-2-[4-(methylamino)piperidin-1-yl]pyrimidine-5-carboxamide
CID 177108736
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

Frequently Asked Questions

What is the IUPAC name of 5-[3-[(cyclopropylamino)methyl]-3-fluoropyrrolidin-1-yl]-N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)pyrazine-2-carboxamide?
The IUPAC name of 5-[3-[(cyclopropylamino)methyl]-3-fluoropyrrolidin-1-yl]-N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)pyrazine-2-carboxamide (CID 166507780) is 5-[3-[(cyclopropylamino)methyl]-3-fluoropyrrolidin-1-yl]-N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-[3-[(cyclopropylamino)methyl]-3-fluoropyrrolidin-1-yl]-N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)pyrazine-2-carboxamide?
The canonical SMILES for 5-[3-[(cyclopropylamino)methyl]-3-fluoropyrrolidin-1-yl]-N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)pyrazine-2-carboxamide is Cc1cn2cc(NC(=O)c3cnc(N4CCC(F)(CNC5CC5)C4)cn3)nc(C)c2n1.
What is the InChIKey of 5-[3-[(cyclopropylamino)methyl]-3-fluoropyrrolidin-1-yl]-N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)pyrazine-2-carboxamide?
The InChIKey is ICWJEIMALBQBGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN8O/c1-13-9-30-10-17(27-14(2)19(30)26-13)28-20(31)16-7-24-18(8-23-16)29-6-5-21(22,12-29)11-25-15-3-4-15/h7-10,15,25H,3-6,11-12H2,1-2H3,(H,28,31).
What are the key properties of 5-[3-[(cyclopropylamino)methyl]-3-fluoropyrrolidin-1-yl]-N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)pyrazine-2-carboxamide?
5-[3-[(cyclopropylamino)methyl]-3-fluoropyrrolidin-1-yl]-N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)pyrazine-2-carboxamide has a molecular weight of 424.48 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(cyclopropylamino)methyl]-3-fluoropyrrolidin-1-yl]-N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 166507780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).