6-(4-methoxyphenyl)-N-[4-(8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl)phenyl]pyrimidine-4-carboxamide

C28H25N7O3 — CID 141481226

IUPAC6-(4-methoxyphenyl)-N-[4-(8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl)phenyl]pyrimidine-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3ccc(-c4cn5ccnc5c(N5CCOCC5)n4)cc3)ncn2)cc1
InChIInChI=1S/C28H25N7O3/c1-37-22-8-4-19(5-9-22)23-16-24(31-18-30-23)28(36)32-21-6-2-20(3-7-21)25-17-35-11-10-29-26(35)27(33-25)34-12-14-38-15-13-34/h2-11,16-18H,12-15H2,1H3,(H,32,36)
InChIKeyFRKQCIXZRGLDCG-UHFFFAOYSA-N
MW507.55 g/mol
LogP3.95
Rot. Bonds6

About 6-(4-methoxyphenyl)-N-[4-(8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl)phenyl]pyrimidine-4-carboxamide

6-(4-methoxyphenyl)-N-[4-(8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl)phenyl]pyrimidine-4-carboxamide (PubChem CID 141481226) has the molecular formula C28H25N7O3 and a molecular weight of 507.55 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-N-[4-(8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl)phenyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-N-[4-(8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl)phenyl]pyrimidine-4-carboxamide
PubChem CID141481226
Molecular FormulaC28H25N7O3
Molecular Weight507.55 g/mol
Exact Mass507.20
IUPAC Name6-(4-methoxyphenyl)-N-[4-(8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl)phenyl]pyrimidine-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3ccc(-c4cn5ccnc5c(N5CCOCC5)n4)cc3)ncn2)cc1
InChIInChI=1S/C28H25N7O3/c1-37-22-8-4-19(5-9-22)23-16-24(31-18-30-23)28(36)32-21-6-2-20(3-7-21)25-17-35-11-10-29-26(35)27(33-25)34-12-14-38-15-13-34/h2-11,16-18H,12-15H2,1H3,(H,32,36)
InChIKeyFRKQCIXZRGLDCG-UHFFFAOYSA-N
XLogP3.95
TPSA106.77 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.55
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-N-[4-(8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl)phenyl]pyrimidine-4-carboxamide?
The IUPAC name of 6-(4-methoxyphenyl)-N-[4-(8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl)phenyl]pyrimidine-4-carboxamide (CID 141481226) is 6-(4-methoxyphenyl)-N-[4-(8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl)phenyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(4-methoxyphenyl)-N-[4-(8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl)phenyl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-(4-methoxyphenyl)-N-[4-(8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl)phenyl]pyrimidine-4-carboxamide is COc1ccc(-c2cc(C(=O)Nc3ccc(-c4cn5ccnc5c(N5CCOCC5)n4)cc3)ncn2)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-N-[4-(8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl)phenyl]pyrimidine-4-carboxamide?
The InChIKey is FRKQCIXZRGLDCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N7O3/c1-37-22-8-4-19(5-9-22)23-16-24(31-18-30-23)28(36)32-21-6-2-20(3-7-21)25-17-35-11-10-29-26(35)27(33-25)34-12-14-38-15-13-34/h2-11,16-18H,12-15H2,1H3,(H,32,36).
What are the key properties of 6-(4-methoxyphenyl)-N-[4-(8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl)phenyl]pyrimidine-4-carboxamide?
6-(4-methoxyphenyl)-N-[4-(8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl)phenyl]pyrimidine-4-carboxamide has a molecular weight of 507.55 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-N-[4-(8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl)phenyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 141481226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).