N-[[3-amino-5-(3-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazin-2-yl]methyl]-1-methylpyrrolidine-2-carboxamide

C25H26FN7O — CID 155209393

IUPACN-[[3-amino-5-(3-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazin-2-yl]methyl]-1-methylpyrrolidine-2-carboxamide
SMILESCc1cnc2ccc(-c3nc(CNC(=O)C4CCCN4C)c(N)nc3-c3cccc(F)c3)cn12
InChIInChI=1S/C25H26FN7O/c1-15-12-28-21-9-8-17(14-33(15)21)23-22(16-5-3-6-18(26)11-16)31-24(27)19(30-23)13-29-25(34)20-7-4-10-32(20)2/h3,5-6,8-9,11-12,14,20H,4,7,10,13H2,1-2H3,(H2,27,31)(H,29,34)
InChIKeyUKEIGNNBXGVFNJ-UHFFFAOYSA-N
MW459.53 g/mol
LogP3.20
Rot. Bonds5

About N-[[3-amino-5-(3-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazin-2-yl]methyl]-1-methylpyrrolidine-2-carboxamide

N-[[3-amino-5-(3-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazin-2-yl]methyl]-1-methylpyrrolidine-2-carboxamide (PubChem CID 155209393) has the molecular formula C25H26FN7O and a molecular weight of 459.53 g/mol. Its IUPAC name is N-[[3-amino-5-(3-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazin-2-yl]methyl]-1-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[[3-amino-5-(3-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazin-2-yl]methyl]-1-methylpyrrolidine-2-carboxamide
PubChem CID155209393
Molecular FormulaC25H26FN7O
Molecular Weight459.53 g/mol
Exact Mass459.22
IUPAC NameN-[[3-amino-5-(3-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazin-2-yl]methyl]-1-methylpyrrolidine-2-carboxamide
SMILESCc1cnc2ccc(-c3nc(CNC(=O)C4CCCN4C)c(N)nc3-c3cccc(F)c3)cn12
InChIInChI=1S/C25H26FN7O/c1-15-12-28-21-9-8-17(14-33(15)21)23-22(16-5-3-6-18(26)11-16)31-24(27)19(30-23)13-29-25(34)20-7-4-10-32(20)2/h3,5-6,8-9,11-12,14,20H,4,7,10,13H2,1-2H3,(H2,27,31)(H,29,34)
InChIKeyUKEIGNNBXGVFNJ-UHFFFAOYSA-N
XLogP3.20
TPSA101.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.53
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[3-amino-6-chloro-5-(4-fluorophenyl)pyrazin-2-yl]methyl]-1-methylpyrrolidine-2-carboxamide
CID 155629770
lithium;3-amino-5-(3-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxylic acid;1-[3-amino-5-(3-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazin-2-yl]-3-[(2R)-1-methylpyrrolidin-2-yl]propan-1-one;(3-fluorophenyl)boronic acid;methyl 3-amino-6-chloro-5-(3-fluorophenyl)pyrazine-2-carboxylate;methyl 3-amino-5,6-dichloropyrazine-2-carboxylate;methyl 3-amino-5-(3-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxylate;(3-methylimidazo[1,2-a]pyridin-6-yl)boronic acid;[(2R)-1-methylpyrrolidin-2-yl]methanamine;hydroxide
CID 158920974
3-amino-5-(4-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-N-[(4-methylmorpholin-2-yl)methyl]pyrazine-2-carboxamide
CID 146380208
N-[[1-[(3-fluorophenyl)methyl]-1,2,4-triazol-3-yl]methyl]-1-methylpyrrolidine-2-carboxamide
CID 167802487
(2S)-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-1-methylpyrrolidine-2-carboxamide
CID 152504880
1-methyl-N-[(3-phenylphenyl)methyl]pyrrolidine-2-carboxamide
CID 146358334
3-amino-N-(1-bicyclo[1.1.1]pentanyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide
CID 155678764
3-amino-N-[(2,6-difluorophenyl)methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-morpholin-3-ylpyrazine-2-carboxamide
CID 175080500
(2S)-1-methyl-N-[[4-(4-methyl-1,3-oxazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 146358192
3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-N-[[(3R)-oxolan-3-yl]methyl]-5-pyridin-2-ylpyrazine-2-carboxamide
CID 155209421
3-amino-N-[(6-amino-2-pyridinyl)methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
CID 155769276
3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)-N-[(3S)-oxolan-3-yl]pyrazine-2-carboxamide
CID 155209338

Frequently Asked Questions

What is the IUPAC name of N-[[3-amino-5-(3-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazin-2-yl]methyl]-1-methylpyrrolidine-2-carboxamide?
The IUPAC name of N-[[3-amino-5-(3-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazin-2-yl]methyl]-1-methylpyrrolidine-2-carboxamide (CID 155209393) is N-[[3-amino-5-(3-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazin-2-yl]methyl]-1-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[[3-amino-5-(3-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazin-2-yl]methyl]-1-methylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[[3-amino-5-(3-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazin-2-yl]methyl]-1-methylpyrrolidine-2-carboxamide is Cc1cnc2ccc(-c3nc(CNC(=O)C4CCCN4C)c(N)nc3-c3cccc(F)c3)cn12.
What is the InChIKey of N-[[3-amino-5-(3-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazin-2-yl]methyl]-1-methylpyrrolidine-2-carboxamide?
The InChIKey is UKEIGNNBXGVFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN7O/c1-15-12-28-21-9-8-17(14-33(15)21)23-22(16-5-3-6-18(26)11-16)31-24(27)19(30-23)13-29-25(34)20-7-4-10-32(20)2/h3,5-6,8-9,11-12,14,20H,4,7,10,13H2,1-2H3,(H2,27,31)(H,29,34).
What are the key properties of N-[[3-amino-5-(3-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazin-2-yl]methyl]-1-methylpyrrolidine-2-carboxamide?
N-[[3-amino-5-(3-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazin-2-yl]methyl]-1-methylpyrrolidine-2-carboxamide has a molecular weight of 459.53 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-amino-5-(3-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazin-2-yl]methyl]-1-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 155209393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).