3-amino-N-(3-methoxycyclobutyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide

C22H23N7O2 — CID 155669219

IUPAC3-amino-N-(3-methoxycyclobutyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide
SMILESCOC1CC(NC(=O)c2nc(-c3ccc4ncc(C)n4c3)c(-c3ccc[nH]3)nc2N)C1
InChIInChI=1S/C22H23N7O2/c1-12-10-25-17-6-5-13(11-29(12)17)18-19(16-4-3-7-24-16)28-21(23)20(27-18)22(30)26-14-8-15(9-14)31-2/h3-7,10-11,14-15,24H,8-9H2,1-2H3,(H2,23,28)(H,26,30)
InChIKeyGZFISYXCYDQQCQ-UHFFFAOYSA-N
MW417.47 g/mol
LogP2.58
Rot. Bonds5

About 3-amino-N-(3-methoxycyclobutyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide

3-amino-N-(3-methoxycyclobutyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide (PubChem CID 155669219) has the molecular formula C22H23N7O2 and a molecular weight of 417.47 g/mol. Its IUPAC name is 3-amino-N-(3-methoxycyclobutyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(3-methoxycyclobutyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide
PubChem CID155669219
Molecular FormulaC22H23N7O2
Molecular Weight417.47 g/mol
Exact Mass417.19
IUPAC Name3-amino-N-(3-methoxycyclobutyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide
SMILESCOC1CC(NC(=O)c2nc(-c3ccc4ncc(C)n4c3)c(-c3ccc[nH]3)nc2N)C1
InChIInChI=1S/C22H23N7O2/c1-12-10-25-17-6-5-13(11-29(12)17)18-19(16-4-3-7-24-16)28-21(23)20(27-18)22(30)26-14-8-15(9-14)31-2/h3-7,10-11,14-15,24H,8-9H2,1-2H3,(H2,23,28)(H,26,30)
InChIKeyGZFISYXCYDQQCQ-UHFFFAOYSA-N
XLogP2.58
TPSA123.22 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

(2R,3R)-3-[[6-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)pyrazin-2-yl]amino]-2-(4-fluorophenyl)pyrrolidine-1-carbaldehyde
CID 56834890
1-Benzyl-1H-1,3,4b,9-tetraaza-fluorene-2,4-dione
CID 21604934
1H-Imidazo(2,1-f)purine-2,4(3H,8H)-dione, 8-butyl-1-methyl-7-phenyl-
CID 3069971
1-benzyl-3-propyl-1H,3H-pyrido(2,1-f)purine-2,4-dione
CID 10359522
Psb-KD107
CID 44437220
N-(3-fluorophenyl)-6-pyridin-2-ylimidazo[1,2-a]pyridine-2-carboxamide
CID 44137900
N-(2,5-difluorophenyl)-6-pyridin-2-ylimidazo[1,2-a]pyridine-2-carboxamide
CID 44137901
N-(6-fluoro-2-pyridinyl)-6-pyridin-2-ylimidazo[1,2-a]pyridine-2-carboxamide
CID 67140847
N-phenyl-6-(pyrid-2-yl)imidazo[1,2-a]pyridine-2-carboxamide
CID 68779277
N-(2-fluorophenyl)-6-pyridin-2-ylimidazo[1,2-a]pyridine-2-carboxamide
CID 68781557
6-[3-(2,2-Difluoroethyl)-5-(6-methylpyridin-2-yl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
CID 135223028
8-((3-(1H-Imidazol-1-YL)PR)amino)3-ME-7-(1-PH-ET)3,7-dihydro-1H-purine-2,6-dione
CID 645860

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-methoxycyclobutyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-(3-methoxycyclobutyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide (CID 155669219) is 3-amino-N-(3-methoxycyclobutyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(3-methoxycyclobutyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-(3-methoxycyclobutyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide is COC1CC(NC(=O)c2nc(-c3ccc4ncc(C)n4c3)c(-c3ccc[nH]3)nc2N)C1.
What is the InChIKey of 3-amino-N-(3-methoxycyclobutyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide?
The InChIKey is GZFISYXCYDQQCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O2/c1-12-10-25-17-6-5-13(11-29(12)17)18-19(16-4-3-7-24-16)28-21(23)20(27-18)22(30)26-14-8-15(9-14)31-2/h3-7,10-11,14-15,24H,8-9H2,1-2H3,(H2,23,28)(H,26,30).
What are the key properties of 3-amino-N-(3-methoxycyclobutyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide?
3-amino-N-(3-methoxycyclobutyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide has a molecular weight of 417.47 g/mol, XLogP of 2.58, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-methoxycyclobutyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 155669219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).