4-[1-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]imidazol-2-yl]pyridin-2-amine

C19H18N6O — CID 166620627

IUPAC4-[1-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]imidazol-2-yl]pyridin-2-amine
SMILESCOc1cccc(-n2cc(Cn3ccnc3-c3ccnc(N)c3)cn2)c1
InChIInChI=1S/C19H18N6O/c1-26-17-4-2-3-16(10-17)25-13-14(11-23-25)12-24-8-7-22-19(24)15-5-6-21-18(20)9-15/h2-11,13H,12H2,1H3,(H2,20,21)
InChIKeyIAKANDHKEQEDKT-UHFFFAOYSA-N
MW346.39 g/mol
LogP2.77
Rot. Bonds5

About 4-[1-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]imidazol-2-yl]pyridin-2-amine

4-[1-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]imidazol-2-yl]pyridin-2-amine (PubChem CID 166620627) has the molecular formula C19H18N6O and a molecular weight of 346.39 g/mol. Its IUPAC name is 4-[1-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]imidazol-2-yl]pyridin-2-amine.

Molecular Properties

Compound Name4-[1-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]imidazol-2-yl]pyridin-2-amine
PubChem CID166620627
Molecular FormulaC19H18N6O
Molecular Weight346.39 g/mol
Exact Mass346.15
IUPAC Name4-[1-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]imidazol-2-yl]pyridin-2-amine
SMILESCOc1cccc(-n2cc(Cn3ccnc3-c3ccnc(N)c3)cn2)c1
InChIInChI=1S/C19H18N6O/c1-26-17-4-2-3-16(10-17)25-13-14(11-23-25)12-24-8-7-22-19(24)15-5-6-21-18(20)9-15/h2-11,13H,12H2,1H3,(H2,20,21)
InChIKeyIAKANDHKEQEDKT-UHFFFAOYSA-N
XLogP2.77
TPSA83.78 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[1-[(3-methoxyphenyl)methyl]imidazol-2-yl]aniline
CID 60813843
4-[4-[1-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]imidazol-2-yl]triazol-1-yl]piperidine;hydrochloride
CID 154896560
2-[[2-(3-methoxyphenyl)imidazol-1-yl]methyl]aniline
CID 82559128
1-[(3-bromo-4-fluorophenyl)methyl]-2-(3-methoxyphenyl)imidazole
CID 82562089
2-[1-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]triazol-4-yl]-1,3-thiazole
CID 72884116
[3-[[2-(3,5-dimethoxyphenyl)imidazol-1-yl]methyl]phenyl]methanamine
CID 82559570
2-[1-(3-methoxyphenyl)pyrazol-4-yl]oxyethanamine
CID 117229758
(2S)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-2-pyrazol-1-ylbutanamide
CID 97138809
4-[1-[(1-phenylpyrazol-4-yl)methyl]imidazol-2-yl]-2-propan-2-ylpyrimidine
CID 56914095
1-methyl-4-[(2-phenylimidazol-1-yl)methyl]pyrazole
CID 155917955
N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-2-pyrrol-1-ylpropanamide
CID 131945038
2-[4-[1-[(1-ethylpyrazol-4-yl)methyl]imidazol-2-yl]phenoxy]pyrimidine
CID 56870178

Frequently Asked Questions

What is the IUPAC name of 4-[1-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]imidazol-2-yl]pyridin-2-amine?
The IUPAC name of 4-[1-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]imidazol-2-yl]pyridin-2-amine (CID 166620627) is 4-[1-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]imidazol-2-yl]pyridin-2-amine.
What is the SMILES notation for 4-[1-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]imidazol-2-yl]pyridin-2-amine?
The canonical SMILES for 4-[1-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]imidazol-2-yl]pyridin-2-amine is COc1cccc(-n2cc(Cn3ccnc3-c3ccnc(N)c3)cn2)c1.
What is the InChIKey of 4-[1-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]imidazol-2-yl]pyridin-2-amine?
The InChIKey is IAKANDHKEQEDKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O/c1-26-17-4-2-3-16(10-17)25-13-14(11-23-25)12-24-8-7-22-19(24)15-5-6-21-18(20)9-15/h2-11,13H,12H2,1H3,(H2,20,21).
What are the key properties of 4-[1-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]imidazol-2-yl]pyridin-2-amine?
4-[1-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]imidazol-2-yl]pyridin-2-amine has a molecular weight of 346.39 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]imidazol-2-yl]pyridin-2-amine is sourced from PubChem (CID 166620627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).