2-[5-[3-(2-fluoro-3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl]-N-methylethanamine

C23H26FN7O — CID 172568646

IUPAC2-[5-[3-(2-fluoro-3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl]-N-methylethanamine
SMILESCNCCn1cnc2c(N3CCOCC3)cc(-n3ccc(-c4cccc(C)c4F)n3)nc21
InChIInChI=1S/C23H26FN7O/c1-16-4-3-5-17(21(16)24)18-6-8-31(28-18)20-14-19(29-10-12-32-13-11-29)22-23(27-20)30(15-26-22)9-7-25-2/h3-6,8,14-15,25H,7,9-13H2,1-2H3
InChIKeyNWZQDOIZXPWFRX-UHFFFAOYSA-N
MW435.51 g/mol
LogP2.79
Rot. Bonds6

About 2-[5-[3-(2-fluoro-3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl]-N-methylethanamine

2-[5-[3-(2-fluoro-3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl]-N-methylethanamine (PubChem CID 172568646) has the molecular formula C23H26FN7O and a molecular weight of 435.51 g/mol. Its IUPAC name is 2-[5-[3-(2-fluoro-3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[5-[3-(2-fluoro-3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl]-N-methylethanamine
PubChem CID172568646
Molecular FormulaC23H26FN7O
Molecular Weight435.51 g/mol
Exact Mass435.22
IUPAC Name2-[5-[3-(2-fluoro-3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl]-N-methylethanamine
SMILESCNCCn1cnc2c(N3CCOCC3)cc(-n3ccc(-c4cccc(C)c4F)n3)nc21
InChIInChI=1S/C23H26FN7O/c1-16-4-3-5-17(21(16)24)18-6-8-31(28-18)20-14-19(29-10-12-32-13-11-29)22-23(27-20)30(15-26-22)9-7-25-2/h3-6,8,14-15,25H,7,9-13H2,1-2H3
InChIKeyNWZQDOIZXPWFRX-UHFFFAOYSA-N
XLogP2.79
TPSA73.03 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.51
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

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
2-(5-chloro-7-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl)-N-methylethanamine
CID 172568485
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
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-[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
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
[1-[3-(cyclopropylmethyl)-7-morpholin-4-ylimidazo[4,5-b]pyridin-5-yl]-3-(3-methylphenyl)pyrazol-5-yl]methanol
CID 172568664
4-[5-[3-(3-methylphenyl)pyrazol-1-yl]-1H-imidazo[4,5-b]pyridin-7-yl]morpholine
CID 172568284
4-[5-chloro-3-[2-(trideuteriomethoxy)ethyl]imidazo[4,5-b]pyridin-7-yl]morpholine
CID 172568490
4-[6-[3-(2,5-dimethylphenyl)pyrazol-1-yl]-2-[2-(1-methylpyrazol-4-yl)ethoxy]pyrimidin-4-yl]morpholine
CID 156832007

Frequently Asked Questions

What is the IUPAC name of 2-[5-[3-(2-fluoro-3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl]-N-methylethanamine?
The IUPAC name of 2-[5-[3-(2-fluoro-3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl]-N-methylethanamine (CID 172568646) is 2-[5-[3-(2-fluoro-3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl]-N-methylethanamine.
What is the SMILES notation for 2-[5-[3-(2-fluoro-3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl]-N-methylethanamine?
The canonical SMILES for 2-[5-[3-(2-fluoro-3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl]-N-methylethanamine is CNCCn1cnc2c(N3CCOCC3)cc(-n3ccc(-c4cccc(C)c4F)n3)nc21.
What is the InChIKey of 2-[5-[3-(2-fluoro-3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl]-N-methylethanamine?
The InChIKey is NWZQDOIZXPWFRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN7O/c1-16-4-3-5-17(21(16)24)18-6-8-31(28-18)20-14-19(29-10-12-32-13-11-29)22-23(27-20)30(15-26-22)9-7-25-2/h3-6,8,14-15,25H,7,9-13H2,1-2H3.
What are the key properties of 2-[5-[3-(2-fluoro-3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl]-N-methylethanamine?
2-[5-[3-(2-fluoro-3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl]-N-methylethanamine has a molecular weight of 435.51 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[3-(2-fluoro-3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl]-N-methylethanamine is sourced from PubChem (CID 172568646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).