4-[1-(3-tert-butyl-4-chloro-1-methylpyrazol-5-yl)-5-[2-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-7-yl]morpholine

C25H26ClF3N6O — CID 140567673

IUPAC4-[1-(3-tert-butyl-4-chloro-1-methylpyrazol-5-yl)-5-[2-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-7-yl]morpholine
SMILESCn1nc(C(C)(C)C)c(Cl)c1-n1cnc2nc(-c3ccccc3C(F)(F)F)cc(N3CCOCC3)c21
InChIInChI=1S/C25H26ClF3N6O/c1-24(2,3)21-19(26)23(33(4)32-21)35-14-30-22-20(35)18(34-9-11-36-12-10-34)13-17(31-22)15-7-5-6-8-16(15)25(27,28)29/h5-8,13-14H,9-12H2,1-4H3
InChIKeyFTINNFIGVZWZIO-UHFFFAOYSA-N
MW518.97 g/mol
LogP5.63
Rot. Bonds3

About 4-[1-(3-tert-butyl-4-chloro-1-methylpyrazol-5-yl)-5-[2-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-7-yl]morpholine

4-[1-(3-tert-butyl-4-chloro-1-methylpyrazol-5-yl)-5-[2-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-7-yl]morpholine (PubChem CID 140567673) has the molecular formula C25H26ClF3N6O and a molecular weight of 518.97 g/mol. Its IUPAC name is 4-[1-(3-tert-butyl-4-chloro-1-methylpyrazol-5-yl)-5-[2-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-7-yl]morpholine.

Molecular Properties

Compound Name4-[1-(3-tert-butyl-4-chloro-1-methylpyrazol-5-yl)-5-[2-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-7-yl]morpholine
PubChem CID140567673
Molecular FormulaC25H26ClF3N6O
Molecular Weight518.97 g/mol
Exact Mass518.18
IUPAC Name4-[1-(3-tert-butyl-4-chloro-1-methylpyrazol-5-yl)-5-[2-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-7-yl]morpholine
SMILESCn1nc(C(C)(C)C)c(Cl)c1-n1cnc2nc(-c3ccccc3C(F)(F)F)cc(N3CCOCC3)c21
InChIInChI=1S/C25H26ClF3N6O/c1-24(2,3)21-19(26)23(33(4)32-21)35-14-30-22-20(35)18(34-9-11-36-12-10-34)13-17(31-22)15-7-5-6-8-16(15)25(27,28)29/h5-8,13-14H,9-12H2,1-4H3
InChIKeyFTINNFIGVZWZIO-UHFFFAOYSA-N
XLogP5.63
TPSA61.00 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.97
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

sodium 2-(5-tert-butyl-4-chloro-2-methylpyrazol-3-yl)-7-chloro-5-[2-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-1-ide
CID 58425428
2-(5-tert-butyl-4-chloro-2-methylpyrazol-3-yl)-5-[2-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridine;hydrochloride
CID 137253019
4-[2-(5-tert-butyl-4-chloro-2-methylpyrazol-3-yl)-5-[2-(trifluoromethyl)phenyl]-3,7a-dihydroimidazo[4,5-c]pyridin-7-yl]morpholine
CID 90186900
2-(5-tert-butyl-4-chloro-2-methylpyrazol-3-yl)-4-(2,2,2-trifluoroethoxy)-6-[2-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine
CID 137210026
benzenesulfonic acid;2-(5-tert-butyl-4-chloro-2-methylpyrazol-3-yl)-4-pyrrolidin-1-yl-6-[2-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine
CID 137253015
2-(5-tert-butyl-4-chloro-2-methylpyrazol-3-yl)-4-chloro-6-[2-(trifluoromethyl)phenyl]-1H-benzimidazole;hydrochloride
CID 159076041
4-[2,8-bis(trifluoromethyl)quinolin-4-yl]morpholine
CID 16728105
2-morpholin-4-yl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxylic acid
CID 151634107
4-[4-tert-butyl-2-(trifluoromethyl)phenyl]morpholine
CID 58525019
4-chloro-2,3-dimethyl-6-[2-(trifluoromethyl)phenyl]pyridine
CID 123435575
5-(6-tert-butyl-2-morpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 145100358
4-[5-[4-chloro-3-(trifluoromethyl)phenyl]-2-methyl-1,2,4-triazol-3-yl]morpholine
CID 72842375

Frequently Asked Questions

What is the IUPAC name of 4-[1-(3-tert-butyl-4-chloro-1-methylpyrazol-5-yl)-5-[2-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-7-yl]morpholine?
The IUPAC name of 4-[1-(3-tert-butyl-4-chloro-1-methylpyrazol-5-yl)-5-[2-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-7-yl]morpholine (CID 140567673) is 4-[1-(3-tert-butyl-4-chloro-1-methylpyrazol-5-yl)-5-[2-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-7-yl]morpholine.
What is the SMILES notation for 4-[1-(3-tert-butyl-4-chloro-1-methylpyrazol-5-yl)-5-[2-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-7-yl]morpholine?
The canonical SMILES for 4-[1-(3-tert-butyl-4-chloro-1-methylpyrazol-5-yl)-5-[2-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-7-yl]morpholine is Cn1nc(C(C)(C)C)c(Cl)c1-n1cnc2nc(-c3ccccc3C(F)(F)F)cc(N3CCOCC3)c21.
What is the InChIKey of 4-[1-(3-tert-butyl-4-chloro-1-methylpyrazol-5-yl)-5-[2-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-7-yl]morpholine?
The InChIKey is FTINNFIGVZWZIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClF3N6O/c1-24(2,3)21-19(26)23(33(4)32-21)35-14-30-22-20(35)18(34-9-11-36-12-10-34)13-17(31-22)15-7-5-6-8-16(15)25(27,28)29/h5-8,13-14H,9-12H2,1-4H3.
What are the key properties of 4-[1-(3-tert-butyl-4-chloro-1-methylpyrazol-5-yl)-5-[2-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-7-yl]morpholine?
4-[1-(3-tert-butyl-4-chloro-1-methylpyrazol-5-yl)-5-[2-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-7-yl]morpholine has a molecular weight of 518.97 g/mol, XLogP of 5.63, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3-tert-butyl-4-chloro-1-methylpyrazol-5-yl)-5-[2-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-7-yl]morpholine is sourced from PubChem (CID 140567673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).