2-methoxy-N-[[4-[4-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-2-pyridinyl]phenyl]methyl]propan-1-amine

C25H27N5O — CID 91156774

IUPAC2-methoxy-N-[[4-[4-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-2-pyridinyl]phenyl]methyl]propan-1-amine
SMILESCOC(C)CNCc1ccc(-c2cc(-c3cn[nH]c3-c3cccc(C)n3)ccn2)cc1
InChIInChI=1S/C25H27N5O/c1-17-5-4-6-23(29-17)25-22(16-28-30-25)21-11-12-27-24(13-21)20-9-7-19(8-10-20)15-26-14-18(2)31-3/h4-13,16,18,26H,14-15H2,1-3H3,(H,28,30)
InChIKeyXFXPWEKSIMCFBS-UHFFFAOYSA-N
MW413.53 g/mol
LogP4.63
Rot. Bonds8

About 2-methoxy-N-[[4-[4-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-2-pyridinyl]phenyl]methyl]propan-1-amine

2-methoxy-N-[[4-[4-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-2-pyridinyl]phenyl]methyl]propan-1-amine (PubChem CID 91156774) has the molecular formula C25H27N5O and a molecular weight of 413.53 g/mol. Its IUPAC name is 2-methoxy-N-[[4-[4-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-2-pyridinyl]phenyl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methoxy-N-[[4-[4-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-2-pyridinyl]phenyl]methyl]propan-1-amine
PubChem CID91156774
Molecular FormulaC25H27N5O
Molecular Weight413.53 g/mol
Exact Mass413.22
IUPAC Name2-methoxy-N-[[4-[4-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-2-pyridinyl]phenyl]methyl]propan-1-amine
SMILESCOC(C)CNCc1ccc(-c2cc(-c3cn[nH]c3-c3cccc(C)n3)ccn2)cc1
InChIInChI=1S/C25H27N5O/c1-17-5-4-6-23(29-17)25-22(16-28-30-25)21-11-12-27-24(13-21)20-9-7-19(8-10-20)15-26-14-18(2)31-3/h4-13,16,18,26H,14-15H2,1-3H3,(H,28,30)
InChIKeyXFXPWEKSIMCFBS-UHFFFAOYSA-N
XLogP4.63
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.53
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-methoxy-N-[[4-[4-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-2-pyridinyl]phenyl]methyl]propan-1-amine with MolForge

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Related Compounds

2-methyl-6-[4-[2-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]-1H-pyrazol-5-yl]pyridine
CID 58612140
4-[[4-[4-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-2-pyridinyl]phenyl]methyl]morpholine
CID 58612156
N-methyl-1-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-3-(1H-pyrazol-4-yl)quinolin-4-yl]methanamine
CID 167366534
1-ethyl-6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]benzimidazole
CID 11392508
[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-4-yl]methanol
CID 167366618
4-[4-[4-[4-(6-methyl-2-pyridinyl)-1H-pyrazol-5-yl]-2-pyridinyl]phenyl]morpholine
CID 58612159
3-[3-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]-1,2,5-thiadiazole
CID 69351411
N-methyl-6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-amine
CID 167366750
4-[[4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]phenyl]methyl]morpholine
CID 10274522
4-[[4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]phenyl]methyl]morpholine;hydrochloride
CID 10274521
2-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-7-(1H-pyrrol-2-yl)-1,5-naphthyridine
CID 167367044
2-[4-[4-fluoro-3-(1H-pyrrol-2-yl)phenyl]-1H-pyrazol-5-yl]-6-methylpyridine
CID 69351052

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[4-[4-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-2-pyridinyl]phenyl]methyl]propan-1-amine?
The IUPAC name of 2-methoxy-N-[[4-[4-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-2-pyridinyl]phenyl]methyl]propan-1-amine (CID 91156774) is 2-methoxy-N-[[4-[4-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-2-pyridinyl]phenyl]methyl]propan-1-amine.
What is the SMILES notation for 2-methoxy-N-[[4-[4-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-2-pyridinyl]phenyl]methyl]propan-1-amine?
The canonical SMILES for 2-methoxy-N-[[4-[4-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-2-pyridinyl]phenyl]methyl]propan-1-amine is COC(C)CNCc1ccc(-c2cc(-c3cn[nH]c3-c3cccc(C)n3)ccn2)cc1.
What is the InChIKey of 2-methoxy-N-[[4-[4-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-2-pyridinyl]phenyl]methyl]propan-1-amine?
The InChIKey is XFXPWEKSIMCFBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O/c1-17-5-4-6-23(29-17)25-22(16-28-30-25)21-11-12-27-24(13-21)20-9-7-19(8-10-20)15-26-14-18(2)31-3/h4-13,16,18,26H,14-15H2,1-3H3,(H,28,30).
What are the key properties of 2-methoxy-N-[[4-[4-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-2-pyridinyl]phenyl]methyl]propan-1-amine?
2-methoxy-N-[[4-[4-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-2-pyridinyl]phenyl]methyl]propan-1-amine has a molecular weight of 413.53 g/mol, XLogP of 4.63, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[4-[4-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-2-pyridinyl]phenyl]methyl]propan-1-amine is sourced from PubChem (CID 91156774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).