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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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).