2-[3-[8-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]imidazo[1,2-a]pyridin-6-yl]phenyl]-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)acetamide

C29H29F3N6O4 — CID 70992605

IUPAC2-[3-[8-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]imidazo[1,2-a]pyridin-6-yl]phenyl]-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)acetamide
SMILESCC(O)(CNC(=O)Cc1cccc(-c2cc(Nc3ccc(C(=O)N4CCOCC4)cn3)c3nccn3c2)c1)C(F)(F)F
InChIInChI=1S/C29H29F3N6O4/c1-28(41,29(30,31)32)18-35-25(39)14-19-3-2-4-20(13-19)22-15-23(26-33-7-8-38(26)17-22)36-24-6-5-21(16-34-24)27(40)37-9-11-42-12-10-37/h2-8,13,15-17,41H,9-12,14,18H2,1H3,(H,34,36)(H,35,39)
InChIKeySNXXMHKWQNVDCA-UHFFFAOYSA-N
MW582.58 g/mol
LogP3.58
Rot. Bonds8

About 2-[3-[8-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]imidazo[1,2-a]pyridin-6-yl]phenyl]-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)acetamide

2-[3-[8-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]imidazo[1,2-a]pyridin-6-yl]phenyl]-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)acetamide (PubChem CID 70992605) has the molecular formula C29H29F3N6O4 and a molecular weight of 582.58 g/mol. Its IUPAC name is 2-[3-[8-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]imidazo[1,2-a]pyridin-6-yl]phenyl]-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[3-[8-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]imidazo[1,2-a]pyridin-6-yl]phenyl]-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)acetamide
PubChem CID70992605
Molecular FormulaC29H29F3N6O4
Molecular Weight582.58 g/mol
Exact Mass582.22
IUPAC Name2-[3-[8-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]imidazo[1,2-a]pyridin-6-yl]phenyl]-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)acetamide
SMILESCC(O)(CNC(=O)Cc1cccc(-c2cc(Nc3ccc(C(=O)N4CCOCC4)cn3)c3nccn3c2)c1)C(F)(F)F
InChIInChI=1S/C29H29F3N6O4/c1-28(41,29(30,31)32)18-35-25(39)14-19-3-2-4-20(13-19)22-15-23(26-33-7-8-38(26)17-22)36-24-6-5-21(16-34-24)27(40)37-9-11-42-12-10-37/h2-8,13,15-17,41H,9-12,14,18H2,1H3,(H,34,36)(H,35,39)
InChIKeySNXXMHKWQNVDCA-UHFFFAOYSA-N
XLogP3.58
TPSA121.09 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500582.58
LogP ≤ 53.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-[3-[8-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]imidazo[1,2-a]pyridin-6-yl]phenyl]-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[8-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]imidazo[1,2-a]pyridin-6-yl]phenyl]-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)acetamide?
The IUPAC name of 2-[3-[8-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]imidazo[1,2-a]pyridin-6-yl]phenyl]-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)acetamide (CID 70992605) is 2-[3-[8-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]imidazo[1,2-a]pyridin-6-yl]phenyl]-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)acetamide.
What is the SMILES notation for 2-[3-[8-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]imidazo[1,2-a]pyridin-6-yl]phenyl]-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)acetamide?
The canonical SMILES for 2-[3-[8-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]imidazo[1,2-a]pyridin-6-yl]phenyl]-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)acetamide is CC(O)(CNC(=O)Cc1cccc(-c2cc(Nc3ccc(C(=O)N4CCOCC4)cn3)c3nccn3c2)c1)C(F)(F)F.
What is the InChIKey of 2-[3-[8-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]imidazo[1,2-a]pyridin-6-yl]phenyl]-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)acetamide?
The InChIKey is SNXXMHKWQNVDCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29F3N6O4/c1-28(41,29(30,31)32)18-35-25(39)14-19-3-2-4-20(13-19)22-15-23(26-33-7-8-38(26)17-22)36-24-6-5-21(16-34-24)27(40)37-9-11-42-12-10-37/h2-8,13,15-17,41H,9-12,14,18H2,1H3,(H,34,36)(H,35,39).
What are the key properties of 2-[3-[8-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]imidazo[1,2-a]pyridin-6-yl]phenyl]-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)acetamide?
2-[3-[8-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]imidazo[1,2-a]pyridin-6-yl]phenyl]-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)acetamide has a molecular weight of 582.58 g/mol, XLogP of 3.58, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[8-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]imidazo[1,2-a]pyridin-6-yl]phenyl]-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)acetamide is sourced from PubChem (CID 70992605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).