N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-[3-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]azetidin-1-yl]pyrazine-2-carboxamide

C21H23F2N7O — CID 166507514

IUPACN-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-[3-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]azetidin-1-yl]pyrazine-2-carboxamide
SMILESCc1cn2cc(NC(=O)c3cnc(N4CC(CN5CC[C@@H](F)C5)C4)cn3)cc(F)c2n1
InChIInChI=1S/C21H23F2N7O/c1-13-7-30-12-16(4-17(23)20(30)26-13)27-21(31)18-5-25-19(6-24-18)29-9-14(10-29)8-28-3-2-15(22)11-28/h4-7,12,14-15H,2-3,8-11H2,1H3,(H,27,31)/t15-/m1/s1
InChIKeyQAJOIUONCGWKRP-OAHLLOKOSA-N
MW427.46 g/mol
LogP2.30
Rot. Bonds5

About N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-[3-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]azetidin-1-yl]pyrazine-2-carboxamide

N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-[3-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]azetidin-1-yl]pyrazine-2-carboxamide (PubChem CID 166507514) has the molecular formula C21H23F2N7O and a molecular weight of 427.46 g/mol. Its IUPAC name is N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-[3-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]azetidin-1-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-[3-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]azetidin-1-yl]pyrazine-2-carboxamide
PubChem CID166507514
Molecular FormulaC21H23F2N7O
Molecular Weight427.46 g/mol
Exact Mass427.19
IUPAC NameN-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-[3-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]azetidin-1-yl]pyrazine-2-carboxamide
SMILESCc1cn2cc(NC(=O)c3cnc(N4CC(CN5CC[C@@H](F)C5)C4)cn3)cc(F)c2n1
InChIInChI=1S/C21H23F2N7O/c1-13-7-30-12-16(4-17(23)20(30)26-13)27-21(31)18-5-25-19(6-24-18)29-9-14(10-29)8-28-3-2-15(22)11-28/h4-7,12,14-15H,2-3,8-11H2,1H3,(H,27,31)/t15-/m1/s1
InChIKeyQAJOIUONCGWKRP-OAHLLOKOSA-N
XLogP2.30
TPSA78.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.46
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-[3-[(3-methoxyazetidin-1-yl)methyl]azetidin-1-yl]pyrazine-2-carboxamide
CID 166507696
tert-butyl (3R)-3-formylpyrrolidine-1-carboxylate;N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-[(3S)-3-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]pyrrolidin-1-yl]pyrazine-2-carboxamide
CID 175846006
N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-pyrrolidin-1-ylpyrazine-2-carboxamide
CID 166848042
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
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
5-[(3R)-3-(ethylamino)pyrrolidin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxamide
CID 166507752
N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-[3-[(2S)-piperidin-2-yl]azetidin-1-yl]pyrazine-2-carboxamide
CID 167528526
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
tert-butyl N-[(3S,4R)-1-[5-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]pyrazin-2-yl]-4-methylpyrrolidin-3-yl]carbamate
CID 168758640
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
[1-[(3R)-1-[5-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]pyrazin-2-yl]pyrrolidin-3-yl]cyclopropyl] N-tert-butylcarbamate
CID 175506314
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

Frequently Asked Questions

What is the IUPAC name of N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-[3-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]azetidin-1-yl]pyrazine-2-carboxamide?
The IUPAC name of N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-[3-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]azetidin-1-yl]pyrazine-2-carboxamide (CID 166507514) is N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-[3-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]azetidin-1-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-[3-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]azetidin-1-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-[3-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]azetidin-1-yl]pyrazine-2-carboxamide is Cc1cn2cc(NC(=O)c3cnc(N4CC(CN5CC[C@@H](F)C5)C4)cn3)cc(F)c2n1.
What is the InChIKey of N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-[3-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]azetidin-1-yl]pyrazine-2-carboxamide?
The InChIKey is QAJOIUONCGWKRP-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H23F2N7O/c1-13-7-30-12-16(4-17(23)20(30)26-13)27-21(31)18-5-25-19(6-24-18)29-9-14(10-29)8-28-3-2-15(22)11-28/h4-7,12,14-15H,2-3,8-11H2,1H3,(H,27,31)/t15-/m1/s1.
What are the key properties of N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-[3-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]azetidin-1-yl]pyrazine-2-carboxamide?
N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-[3-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]azetidin-1-yl]pyrazine-2-carboxamide has a molecular weight of 427.46 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-[3-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]azetidin-1-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 166507514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).