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

C28H28N6O2 — CID 90456435

IUPAC2-(2-cyanopropan-2-yl)-N-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1-c1cc(N2CCOCC2)c2nccn2c1
InChIInChI=1S/C28H28N6O2/c1-19-4-5-22(32-27(35)20-6-7-30-25(15-20)28(2,3)18-29)16-23(19)21-14-24(33-10-12-36-13-11-33)26-31-8-9-34(26)17-21/h4-9,14-17H,10-13H2,1-3H3,(H,32,35)
InChIKeyDWUGRCWNRAZKQO-UHFFFAOYSA-N
MW480.57 g/mol
LogP4.59
Rot. Bonds5

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

2-(2-cyanopropan-2-yl)-N-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]pyridine-4-carboxamide (PubChem CID 90456435) has the molecular formula C28H28N6O2 and a molecular weight of 480.57 g/mol. Its IUPAC name is 2-(2-cyanopropan-2-yl)-N-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-a]pyridin-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]pyridin-6-yl)phenyl]pyridine-4-carboxamide
PubChem CID90456435
Molecular FormulaC28H28N6O2
Molecular Weight480.57 g/mol
Exact Mass480.23
IUPAC Name2-(2-cyanopropan-2-yl)-N-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1-c1cc(N2CCOCC2)c2nccn2c1
InChIInChI=1S/C28H28N6O2/c1-19-4-5-22(32-27(35)20-6-7-30-25(15-20)28(2,3)18-29)16-23(19)21-14-24(33-10-12-36-13-11-33)26-31-8-9-34(26)17-21/h4-9,14-17H,10-13H2,1-3H3,(H,32,35)
InChIKeyDWUGRCWNRAZKQO-UHFFFAOYSA-N
XLogP4.59
TPSA95.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.57
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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]pyridin-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]pyridin-6-yl)phenyl]pyridine-4-carboxamide (CID 90456435) is 2-(2-cyanopropan-2-yl)-N-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-a]pyridin-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]pyridin-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]pyridin-6-yl)phenyl]pyridine-4-carboxamide is Cc1ccc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1-c1cc(N2CCOCC2)c2nccn2c1.
What is the InChIKey of 2-(2-cyanopropan-2-yl)-N-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]pyridine-4-carboxamide?
The InChIKey is DWUGRCWNRAZKQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N6O2/c1-19-4-5-22(32-27(35)20-6-7-30-25(15-20)28(2,3)18-29)16-23(19)21-14-24(33-10-12-36-13-11-33)26-31-8-9-34(26)17-21/h4-9,14-17H,10-13H2,1-3H3,(H,32,35).
What are the key properties of 2-(2-cyanopropan-2-yl)-N-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]pyridine-4-carboxamide?
2-(2-cyanopropan-2-yl)-N-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]pyridine-4-carboxamide has a molecular weight of 480.57 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 7 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]pyridin-6-yl)phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 90456435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).