1-(2-morpholin-4-ylethyl)-N-[1-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethyl]imidazo[4,5-c]pyridine-6-carboxamide

C25H26F3N7O2S — CID 88579108

IUPAC1-(2-morpholin-4-ylethyl)-N-[1-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethyl]imidazo[4,5-c]pyridine-6-carboxamide
SMILESCC(NC(=O)c1cc2c(cn1)ncn2CCN1CCOCC1)c1cnc(Nc2ccc(C(F)(F)F)cc2)s1
InChIInChI=1S/C25H26F3N7O2S/c1-16(22-14-30-24(38-22)33-18-4-2-17(3-5-18)25(26,27)28)32-23(36)19-12-21-20(13-29-19)31-15-35(21)7-6-34-8-10-37-11-9-34/h2-5,12-16H,6-11H2,1H3,(H,30,33)(H,32,36)
InChIKeyLFDUSBITNRHJLN-UHFFFAOYSA-N
MW545.59 g/mol
LogP4.47
Rot. Bonds8

About 1-(2-morpholin-4-ylethyl)-N-[1-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethyl]imidazo[4,5-c]pyridine-6-carboxamide

1-(2-morpholin-4-ylethyl)-N-[1-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethyl]imidazo[4,5-c]pyridine-6-carboxamide (PubChem CID 88579108) has the molecular formula C25H26F3N7O2S and a molecular weight of 545.59 g/mol. Its IUPAC name is 1-(2-morpholin-4-ylethyl)-N-[1-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethyl]imidazo[4,5-c]pyridine-6-carboxamide.

Molecular Properties

Compound Name1-(2-morpholin-4-ylethyl)-N-[1-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethyl]imidazo[4,5-c]pyridine-6-carboxamide
PubChem CID88579108
Molecular FormulaC25H26F3N7O2S
Molecular Weight545.59 g/mol
Exact Mass545.18
IUPAC Name1-(2-morpholin-4-ylethyl)-N-[1-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethyl]imidazo[4,5-c]pyridine-6-carboxamide
SMILESCC(NC(=O)c1cc2c(cn1)ncn2CCN1CCOCC1)c1cnc(Nc2ccc(C(F)(F)F)cc2)s1
InChIInChI=1S/C25H26F3N7O2S/c1-16(22-14-30-24(38-22)33-18-4-2-17(3-5-18)25(26,27)28)32-23(36)19-12-21-20(13-29-19)31-15-35(21)7-6-34-8-10-37-11-9-34/h2-5,12-16H,6-11H2,1H3,(H,30,33)(H,32,36)
InChIKeyLFDUSBITNRHJLN-UHFFFAOYSA-N
XLogP4.47
TPSA97.20 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500545.59
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 1-(2-morpholin-4-ylethyl)-N-[1-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethyl]imidazo[4,5-c]pyridine-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(2-morpholin-4-ylethyl)-N-[1-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethyl]imidazo[4,5-c]pyridine-6-carboxamide?
The IUPAC name of 1-(2-morpholin-4-ylethyl)-N-[1-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethyl]imidazo[4,5-c]pyridine-6-carboxamide (CID 88579108) is 1-(2-morpholin-4-ylethyl)-N-[1-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethyl]imidazo[4,5-c]pyridine-6-carboxamide.
What is the SMILES notation for 1-(2-morpholin-4-ylethyl)-N-[1-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethyl]imidazo[4,5-c]pyridine-6-carboxamide?
The canonical SMILES for 1-(2-morpholin-4-ylethyl)-N-[1-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethyl]imidazo[4,5-c]pyridine-6-carboxamide is CC(NC(=O)c1cc2c(cn1)ncn2CCN1CCOCC1)c1cnc(Nc2ccc(C(F)(F)F)cc2)s1.
What is the InChIKey of 1-(2-morpholin-4-ylethyl)-N-[1-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethyl]imidazo[4,5-c]pyridine-6-carboxamide?
The InChIKey is LFDUSBITNRHJLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F3N7O2S/c1-16(22-14-30-24(38-22)33-18-4-2-17(3-5-18)25(26,27)28)32-23(36)19-12-21-20(13-29-19)31-15-35(21)7-6-34-8-10-37-11-9-34/h2-5,12-16H,6-11H2,1H3,(H,30,33)(H,32,36).
What are the key properties of 1-(2-morpholin-4-ylethyl)-N-[1-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethyl]imidazo[4,5-c]pyridine-6-carboxamide?
1-(2-morpholin-4-ylethyl)-N-[1-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethyl]imidazo[4,5-c]pyridine-6-carboxamide has a molecular weight of 545.59 g/mol, XLogP of 4.47, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-morpholin-4-ylethyl)-N-[1-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethyl]imidazo[4,5-c]pyridine-6-carboxamide is sourced from PubChem (CID 88579108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).