2-(2-cyanopropan-2-yl)-N-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl)phenyl]pyridine-4-carboxamide

C27H27N7O2 — CID 90456743

IUPAC2-(2-cyanopropan-2-yl)-N-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl)phenyl]pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1-c1cn2ccnc2c(N2CCOCC2)n1
InChIInChI=1S/C27H27N7O2/c1-18-4-5-20(31-26(35)19-6-7-29-23(14-19)27(2,3)17-28)15-21(18)22-16-34-9-8-30-24(34)25(32-22)33-10-12-36-13-11-33/h4-9,14-16H,10-13H2,1-3H3,(H,31,35)
InChIKeyRREFDZUZLSRWEE-UHFFFAOYSA-N
MW481.56 g/mol
LogP3.99
Rot. Bonds5

About 2-(2-cyanopropan-2-yl)-N-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl)phenyl]pyridine-4-carboxamide

2-(2-cyanopropan-2-yl)-N-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl)phenyl]pyridine-4-carboxamide (PubChem CID 90456743) has the molecular formula C27H27N7O2 and a molecular weight of 481.56 g/mol. Its IUPAC name is 2-(2-cyanopropan-2-yl)-N-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl)phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(2-cyanopropan-2-yl)-N-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl)phenyl]pyridine-4-carboxamide
PubChem CID90456743
Molecular FormulaC27H27N7O2
Molecular Weight481.56 g/mol
Exact Mass481.22
IUPAC Name2-(2-cyanopropan-2-yl)-N-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl)phenyl]pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1-c1cn2ccnc2c(N2CCOCC2)n1
InChIInChI=1S/C27H27N7O2/c1-18-4-5-20(31-26(35)19-6-7-29-23(14-19)27(2,3)17-28)15-21(18)22-16-34-9-8-30-24(34)25(32-22)33-10-12-36-13-11-33/h4-9,14-16H,10-13H2,1-3H3,(H,31,35)
InChIKeyRREFDZUZLSRWEE-UHFFFAOYSA-N
XLogP3.99
TPSA108.44 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.56
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanopropan-2-yl)-N-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl)phenyl]pyridine-4-carboxamide?
The IUPAC name of 2-(2-cyanopropan-2-yl)-N-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl)phenyl]pyridine-4-carboxamide (CID 90456743) is 2-(2-cyanopropan-2-yl)-N-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl)phenyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(2-cyanopropan-2-yl)-N-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl)phenyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(2-cyanopropan-2-yl)-N-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl)phenyl]pyridine-4-carboxamide is Cc1ccc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1-c1cn2ccnc2c(N2CCOCC2)n1.
What is the InChIKey of 2-(2-cyanopropan-2-yl)-N-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl)phenyl]pyridine-4-carboxamide?
The InChIKey is RREFDZUZLSRWEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N7O2/c1-18-4-5-20(31-26(35)19-6-7-29-23(14-19)27(2,3)17-28)15-21(18)22-16-34-9-8-30-24(34)25(32-22)33-10-12-36-13-11-33/h4-9,14-16H,10-13H2,1-3H3,(H,31,35).
What are the key properties of 2-(2-cyanopropan-2-yl)-N-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl)phenyl]pyridine-4-carboxamide?
2-(2-cyanopropan-2-yl)-N-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl)phenyl]pyridine-4-carboxamide has a molecular weight of 481.56 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanopropan-2-yl)-N-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl)phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 90456743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).