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

C21H23N7O2 — CID 155678655

IUPAC3-amino-N-(2-methoxypropyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide
SMILESCOC(C)CNC(=O)c1nc(-c2ccc3ncc(C)n3c2)c(-c2ccc[nH]2)nc1N
InChIInChI=1S/C21H23N7O2/c1-12-9-24-16-7-6-14(11-28(12)16)17-18(15-5-4-8-23-15)27-20(22)19(26-17)21(29)25-10-13(2)30-3/h4-9,11,13,23H,10H2,1-3H3,(H2,22,27)(H,25,29)
InChIKeyZUOFTJIYJUCXJR-UHFFFAOYSA-N
MW405.46 g/mol
LogP2.44
Rot. Bonds6

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

3-amino-N-(2-methoxypropyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide (PubChem CID 155678655) has the molecular formula C21H23N7O2 and a molecular weight of 405.46 g/mol. Its IUPAC name is 3-amino-N-(2-methoxypropyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2-methoxypropyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide
PubChem CID155678655
Molecular FormulaC21H23N7O2
Molecular Weight405.46 g/mol
Exact Mass405.19
IUPAC Name3-amino-N-(2-methoxypropyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide
SMILESCOC(C)CNC(=O)c1nc(-c2ccc3ncc(C)n3c2)c(-c2ccc[nH]2)nc1N
InChIInChI=1S/C21H23N7O2/c1-12-9-24-16-7-6-14(11-28(12)16)17-18(15-5-4-8-23-15)27-20(22)19(26-17)21(29)25-10-13(2)30-3/h4-9,11,13,23H,10H2,1-3H3,(H2,22,27)(H,25,29)
InChIKeyZUOFTJIYJUCXJR-UHFFFAOYSA-N
XLogP2.44
TPSA123.22 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-methoxypropyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-(2-methoxypropyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide (CID 155678655) is 3-amino-N-(2-methoxypropyl)-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-(2-methoxypropyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-(2-methoxypropyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide is COC(C)CNC(=O)c1nc(-c2ccc3ncc(C)n3c2)c(-c2ccc[nH]2)nc1N.
What is the InChIKey of 3-amino-N-(2-methoxypropyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide?
The InChIKey is ZUOFTJIYJUCXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7O2/c1-12-9-24-16-7-6-14(11-28(12)16)17-18(15-5-4-8-23-15)27-20(22)19(26-17)21(29)25-10-13(2)30-3/h4-9,11,13,23H,10H2,1-3H3,(H2,22,27)(H,25,29).
What are the key properties of 3-amino-N-(2-methoxypropyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide?
3-amino-N-(2-methoxypropyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide has a molecular weight of 405.46 g/mol, XLogP of 2.44, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-methoxypropyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 155678655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).