N-methyl-2-[7-morpholin-4-yl-5-[3-[3-(trifluoromethoxy)phenyl]pyrazol-1-yl]imidazo[4,5-b]pyridin-3-yl]ethanamine

C23H24F3N7O2 — CID 172568584

IUPACN-methyl-2-[7-morpholin-4-yl-5-[3-[3-(trifluoromethoxy)phenyl]pyrazol-1-yl]imidazo[4,5-b]pyridin-3-yl]ethanamine
SMILESCNCCn1cnc2c(N3CCOCC3)cc(-n3ccc(-c4cccc(OC(F)(F)F)c4)n3)nc21
InChIInChI=1S/C23H24F3N7O2/c1-27-6-8-32-15-28-21-19(31-9-11-34-12-10-31)14-20(29-22(21)32)33-7-5-18(30-33)16-3-2-4-17(13-16)35-23(24,25)26/h2-5,7,13-15,27H,6,8-12H2,1H3
InChIKeyOHIGPPGKJSIKRT-UHFFFAOYSA-N
MW487.49 g/mol
LogP3.24
Rot. Bonds7

About N-methyl-2-[7-morpholin-4-yl-5-[3-[3-(trifluoromethoxy)phenyl]pyrazol-1-yl]imidazo[4,5-b]pyridin-3-yl]ethanamine

N-methyl-2-[7-morpholin-4-yl-5-[3-[3-(trifluoromethoxy)phenyl]pyrazol-1-yl]imidazo[4,5-b]pyridin-3-yl]ethanamine (PubChem CID 172568584) has the molecular formula C23H24F3N7O2 and a molecular weight of 487.49 g/mol. Its IUPAC name is N-methyl-2-[7-morpholin-4-yl-5-[3-[3-(trifluoromethoxy)phenyl]pyrazol-1-yl]imidazo[4,5-b]pyridin-3-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[7-morpholin-4-yl-5-[3-[3-(trifluoromethoxy)phenyl]pyrazol-1-yl]imidazo[4,5-b]pyridin-3-yl]ethanamine
PubChem CID172568584
Molecular FormulaC23H24F3N7O2
Molecular Weight487.49 g/mol
Exact Mass487.19
IUPAC NameN-methyl-2-[7-morpholin-4-yl-5-[3-[3-(trifluoromethoxy)phenyl]pyrazol-1-yl]imidazo[4,5-b]pyridin-3-yl]ethanamine
SMILESCNCCn1cnc2c(N3CCOCC3)cc(-n3ccc(-c4cccc(OC(F)(F)F)c4)n3)nc21
InChIInChI=1S/C23H24F3N7O2/c1-27-6-8-32-15-28-21-19(31-9-11-34-12-10-31)14-20(29-22(21)32)33-7-5-18(30-33)16-3-2-4-17(13-16)35-23(24,25)26/h2-5,7,13-15,27H,6,8-12H2,1H3
InChIKeyOHIGPPGKJSIKRT-UHFFFAOYSA-N
XLogP3.24
TPSA82.26 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.49
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

2-[5-[3-(2-fluoro-3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl]-N-methylethanamine
CID 172568646
4-[3-(azetidin-3-ylmethyl)-5-[3-(3-methylphenyl)pyrazol-1-yl]imidazo[4,5-b]pyridin-7-yl]morpholine
CID 172568691
4-[5-[3-(3-cyclopropylphenyl)pyrazol-1-yl]-3-(oxan-4-ylmethyl)imidazo[4,5-b]pyridin-7-yl]morpholine
CID 172568535
2-(5-chloro-7-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl)-N-methylethanamine
CID 172568485
5-[5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl]-1,3-diazinan-2-one
CID 172568603
4-[6-[3-(3-methoxyphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine
CID 150401923
4-[4-[3-(3-methylphenyl)pyrazol-1-yl]-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-6-yl]morpholine
CID 172568696
4-[5-[3-(3-methylphenyl)pyrazol-1-yl]-1H-imidazo[4,5-b]pyridin-7-yl]morpholine
CID 172568284
1-[3-(2-methoxyethyl)-7-morpholin-4-ylimidazo[4,5-b]pyridin-5-yl]-N,N-dimethyl-3-(3-methylphenyl)pyrazole-5-carboxamide
CID 172568503
N-[(1R)-2-methyl-1-[3-methyl-5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-ylimidazo[4,5-b]pyridin-2-yl]propyl]acetamide
CID 172568525
N-[(3,5-dimethoxyphenyl)methyl]-6-[3-(3-methylphenyl)pyrazol-1-yl]-4-morpholin-4-yl-3-nitropyridin-2-amine
CID 172568305
2-[3-[5-[3-(3-methoxyphenyl)pyrazol-1-yl]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]-5-methylpyrazol-1-yl]-N,N-dimethylethanamine
CID 166165021

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[7-morpholin-4-yl-5-[3-[3-(trifluoromethoxy)phenyl]pyrazol-1-yl]imidazo[4,5-b]pyridin-3-yl]ethanamine?
The IUPAC name of N-methyl-2-[7-morpholin-4-yl-5-[3-[3-(trifluoromethoxy)phenyl]pyrazol-1-yl]imidazo[4,5-b]pyridin-3-yl]ethanamine (CID 172568584) is N-methyl-2-[7-morpholin-4-yl-5-[3-[3-(trifluoromethoxy)phenyl]pyrazol-1-yl]imidazo[4,5-b]pyridin-3-yl]ethanamine.
What is the SMILES notation for N-methyl-2-[7-morpholin-4-yl-5-[3-[3-(trifluoromethoxy)phenyl]pyrazol-1-yl]imidazo[4,5-b]pyridin-3-yl]ethanamine?
The canonical SMILES for N-methyl-2-[7-morpholin-4-yl-5-[3-[3-(trifluoromethoxy)phenyl]pyrazol-1-yl]imidazo[4,5-b]pyridin-3-yl]ethanamine is CNCCn1cnc2c(N3CCOCC3)cc(-n3ccc(-c4cccc(OC(F)(F)F)c4)n3)nc21.
What is the InChIKey of N-methyl-2-[7-morpholin-4-yl-5-[3-[3-(trifluoromethoxy)phenyl]pyrazol-1-yl]imidazo[4,5-b]pyridin-3-yl]ethanamine?
The InChIKey is OHIGPPGKJSIKRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N7O2/c1-27-6-8-32-15-28-21-19(31-9-11-34-12-10-31)14-20(29-22(21)32)33-7-5-18(30-33)16-3-2-4-17(13-16)35-23(24,25)26/h2-5,7,13-15,27H,6,8-12H2,1H3.
What are the key properties of N-methyl-2-[7-morpholin-4-yl-5-[3-[3-(trifluoromethoxy)phenyl]pyrazol-1-yl]imidazo[4,5-b]pyridin-3-yl]ethanamine?
N-methyl-2-[7-morpholin-4-yl-5-[3-[3-(trifluoromethoxy)phenyl]pyrazol-1-yl]imidazo[4,5-b]pyridin-3-yl]ethanamine has a molecular weight of 487.49 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[7-morpholin-4-yl-5-[3-[3-(trifluoromethoxy)phenyl]pyrazol-1-yl]imidazo[4,5-b]pyridin-3-yl]ethanamine is sourced from PubChem (CID 172568584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).