3-[[4-methoxy-5-[(4-methoxyphenyl)methoxy]-2-pyridinyl]methoxy]-5-(1-methylpyrazol-4-yl)pyrazin-2-amine

C23H24N6O4 — CID 46870016

IUPAC3-[[4-methoxy-5-[(4-methoxyphenyl)methoxy]-2-pyridinyl]methoxy]-5-(1-methylpyrazol-4-yl)pyrazin-2-amine
SMILESCOc1ccc(COc2cnc(COc3nc(-c4cnn(C)c4)cnc3N)cc2OC)cc1
InChIInChI=1S/C23H24N6O4/c1-29-12-16(9-27-29)19-10-26-22(24)23(28-19)33-14-17-8-20(31-3)21(11-25-17)32-13-15-4-6-18(30-2)7-5-15/h4-12H,13-14H2,1-3H3,(H2,24,26)
InChIKeyFYNJLBSSIPLISK-UHFFFAOYSA-N
MW448.48 g/mol
LogP3.03
Rot. Bonds9

About 3-[[4-methoxy-5-[(4-methoxyphenyl)methoxy]-2-pyridinyl]methoxy]-5-(1-methylpyrazol-4-yl)pyrazin-2-amine

3-[[4-methoxy-5-[(4-methoxyphenyl)methoxy]-2-pyridinyl]methoxy]-5-(1-methylpyrazol-4-yl)pyrazin-2-amine (PubChem CID 46870016) has the molecular formula C23H24N6O4 and a molecular weight of 448.48 g/mol. Its IUPAC name is 3-[[4-methoxy-5-[(4-methoxyphenyl)methoxy]-2-pyridinyl]methoxy]-5-(1-methylpyrazol-4-yl)pyrazin-2-amine.

Molecular Properties

Compound Name3-[[4-methoxy-5-[(4-methoxyphenyl)methoxy]-2-pyridinyl]methoxy]-5-(1-methylpyrazol-4-yl)pyrazin-2-amine
PubChem CID46870016
Molecular FormulaC23H24N6O4
Molecular Weight448.48 g/mol
Exact Mass448.19
IUPAC Name3-[[4-methoxy-5-[(4-methoxyphenyl)methoxy]-2-pyridinyl]methoxy]-5-(1-methylpyrazol-4-yl)pyrazin-2-amine
SMILESCOc1ccc(COc2cnc(COc3nc(-c4cnn(C)c4)cnc3N)cc2OC)cc1
InChIInChI=1S/C23H24N6O4/c1-29-12-16(9-27-29)19-10-26-22(24)23(28-19)33-14-17-8-20(31-3)21(11-25-17)32-13-15-4-6-18(30-2)7-5-15/h4-12H,13-14H2,1-3H3,(H2,24,26)
InChIKeyFYNJLBSSIPLISK-UHFFFAOYSA-N
XLogP3.03
TPSA119.43 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.48
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

4-(4-methoxyphenyl)-1-methylpyrazole
CID 4101323
2-amino-N-cyclopentyl-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;(4-methoxyphenyl)methanol
CID 145269463
3-[(4-methoxyphenyl)methyl]-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrimidine
CID 11978219
3-iodo-5-(1-methylpyrazol-4-yl)pyrazin-2-amine
CID 144824181
5-[[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]methyl]pyrimidine-2,4-diamine
CID 11617559
3-[[3-methoxy-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]phenyl]methyl]-6-(1-methylpyrazol-4-yl)imidazo[4,5-c]pyridin-2-amine
CID 156579641
6-[3-amino-6-(1-methylpyrazol-4-yl)pyrazin-2-yl]-2-(3,5-dimethoxyphenyl)-4-propylpyridazin-3-one
CID 129066718
N-[(2,4-dimethoxyphenyl)methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine
CID 155538985
[3-methoxy-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]methanol
CID 28782967
[3-(1-methylpyrazol-4-yl)-5-phenylmethoxyphenyl]methanamine
CID 170995038
4-(3-ethyl-5-methoxyphenyl)-1-methylpyrazole
CID 170591109
3-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)pyrazin-2-amine
CID 142945202

Frequently Asked Questions

What is the IUPAC name of 3-[[4-methoxy-5-[(4-methoxyphenyl)methoxy]-2-pyridinyl]methoxy]-5-(1-methylpyrazol-4-yl)pyrazin-2-amine?
The IUPAC name of 3-[[4-methoxy-5-[(4-methoxyphenyl)methoxy]-2-pyridinyl]methoxy]-5-(1-methylpyrazol-4-yl)pyrazin-2-amine (CID 46870016) is 3-[[4-methoxy-5-[(4-methoxyphenyl)methoxy]-2-pyridinyl]methoxy]-5-(1-methylpyrazol-4-yl)pyrazin-2-amine.
What is the SMILES notation for 3-[[4-methoxy-5-[(4-methoxyphenyl)methoxy]-2-pyridinyl]methoxy]-5-(1-methylpyrazol-4-yl)pyrazin-2-amine?
The canonical SMILES for 3-[[4-methoxy-5-[(4-methoxyphenyl)methoxy]-2-pyridinyl]methoxy]-5-(1-methylpyrazol-4-yl)pyrazin-2-amine is COc1ccc(COc2cnc(COc3nc(-c4cnn(C)c4)cnc3N)cc2OC)cc1.
What is the InChIKey of 3-[[4-methoxy-5-[(4-methoxyphenyl)methoxy]-2-pyridinyl]methoxy]-5-(1-methylpyrazol-4-yl)pyrazin-2-amine?
The InChIKey is FYNJLBSSIPLISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O4/c1-29-12-16(9-27-29)19-10-26-22(24)23(28-19)33-14-17-8-20(31-3)21(11-25-17)32-13-15-4-6-18(30-2)7-5-15/h4-12H,13-14H2,1-3H3,(H2,24,26).
What are the key properties of 3-[[4-methoxy-5-[(4-methoxyphenyl)methoxy]-2-pyridinyl]methoxy]-5-(1-methylpyrazol-4-yl)pyrazin-2-amine?
3-[[4-methoxy-5-[(4-methoxyphenyl)methoxy]-2-pyridinyl]methoxy]-5-(1-methylpyrazol-4-yl)pyrazin-2-amine has a molecular weight of 448.48 g/mol, XLogP of 3.03, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-methoxy-5-[(4-methoxyphenyl)methoxy]-2-pyridinyl]methoxy]-5-(1-methylpyrazol-4-yl)pyrazin-2-amine is sourced from PubChem (CID 46870016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).