3-[4-(2-aminoethoxy)phenyl]-N-methyl-N-(5-methyl-2-pyridinyl)imidazo[1,2-a]pyrazine-6-carboxamide

C22H22N6O2 — CID 90157297

IUPAC3-[4-(2-aminoethoxy)phenyl]-N-methyl-N-(5-methyl-2-pyridinyl)imidazo[1,2-a]pyrazine-6-carboxamide
SMILESCc1ccc(N(C)C(=O)c2cn3c(-c4ccc(OCCN)cc4)cnc3cn2)nc1
InChIInChI=1S/C22H22N6O2/c1-15-3-8-20(25-11-15)27(2)22(29)18-14-28-19(12-26-21(28)13-24-18)16-4-6-17(7-5-16)30-10-9-23/h3-8,11-14H,9-10,23H2,1-2H3
InChIKeyOFPMKWATRNGGDR-UHFFFAOYSA-N
MW402.46 g/mol
LogP2.71
Rot. Bonds6

About 3-[4-(2-aminoethoxy)phenyl]-N-methyl-N-(5-methyl-2-pyridinyl)imidazo[1,2-a]pyrazine-6-carboxamide

3-[4-(2-aminoethoxy)phenyl]-N-methyl-N-(5-methyl-2-pyridinyl)imidazo[1,2-a]pyrazine-6-carboxamide (PubChem CID 90157297) has the molecular formula C22H22N6O2 and a molecular weight of 402.46 g/mol. Its IUPAC name is 3-[4-(2-aminoethoxy)phenyl]-N-methyl-N-(5-methyl-2-pyridinyl)imidazo[1,2-a]pyrazine-6-carboxamide.

Molecular Properties

Compound Name3-[4-(2-aminoethoxy)phenyl]-N-methyl-N-(5-methyl-2-pyridinyl)imidazo[1,2-a]pyrazine-6-carboxamide
PubChem CID90157297
Molecular FormulaC22H22N6O2
Molecular Weight402.46 g/mol
Exact Mass402.18
IUPAC Name3-[4-(2-aminoethoxy)phenyl]-N-methyl-N-(5-methyl-2-pyridinyl)imidazo[1,2-a]pyrazine-6-carboxamide
SMILESCc1ccc(N(C)C(=O)c2cn3c(-c4ccc(OCCN)cc4)cnc3cn2)nc1
InChIInChI=1S/C22H22N6O2/c1-15-3-8-20(25-11-15)27(2)22(29)18-14-28-19(12-26-21(28)13-24-18)16-4-6-17(7-5-16)30-10-9-23/h3-8,11-14H,9-10,23H2,1-2H3
InChIKeyOFPMKWATRNGGDR-UHFFFAOYSA-N
XLogP2.71
TPSA98.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.46
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-aminoethoxy)phenyl]-N-methyl-N-(5-methyl-2-pyridinyl)imidazo[1,2-a]pyrazine-6-carboxamide?
The IUPAC name of 3-[4-(2-aminoethoxy)phenyl]-N-methyl-N-(5-methyl-2-pyridinyl)imidazo[1,2-a]pyrazine-6-carboxamide (CID 90157297) is 3-[4-(2-aminoethoxy)phenyl]-N-methyl-N-(5-methyl-2-pyridinyl)imidazo[1,2-a]pyrazine-6-carboxamide.
What is the SMILES notation for 3-[4-(2-aminoethoxy)phenyl]-N-methyl-N-(5-methyl-2-pyridinyl)imidazo[1,2-a]pyrazine-6-carboxamide?
The canonical SMILES for 3-[4-(2-aminoethoxy)phenyl]-N-methyl-N-(5-methyl-2-pyridinyl)imidazo[1,2-a]pyrazine-6-carboxamide is Cc1ccc(N(C)C(=O)c2cn3c(-c4ccc(OCCN)cc4)cnc3cn2)nc1.
What is the InChIKey of 3-[4-(2-aminoethoxy)phenyl]-N-methyl-N-(5-methyl-2-pyridinyl)imidazo[1,2-a]pyrazine-6-carboxamide?
The InChIKey is OFPMKWATRNGGDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O2/c1-15-3-8-20(25-11-15)27(2)22(29)18-14-28-19(12-26-21(28)13-24-18)16-4-6-17(7-5-16)30-10-9-23/h3-8,11-14H,9-10,23H2,1-2H3.
What are the key properties of 3-[4-(2-aminoethoxy)phenyl]-N-methyl-N-(5-methyl-2-pyridinyl)imidazo[1,2-a]pyrazine-6-carboxamide?
3-[4-(2-aminoethoxy)phenyl]-N-methyl-N-(5-methyl-2-pyridinyl)imidazo[1,2-a]pyrazine-6-carboxamide has a molecular weight of 402.46 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-aminoethoxy)phenyl]-N-methyl-N-(5-methyl-2-pyridinyl)imidazo[1,2-a]pyrazine-6-carboxamide is sourced from PubChem (CID 90157297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).