methyl 4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-methylbenzoate

C18H18N4O2 — CID 118045392

IUPACmethyl 4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-methylbenzoate
SMILESCOC(=O)c1ccc(-c2cc(-c3cnn(C)c3)cnc2N)cc1C
InChIInChI=1S/C18H18N4O2/c1-11-6-12(4-5-15(11)18(23)24-3)16-7-13(8-20-17(16)19)14-9-21-22(2)10-14/h4-10H,1-3H3,(H2,19,20)
InChIKeyOAURKRAGDVXHBF-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.83
Rot. Bonds3

About methyl 4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-methylbenzoate

methyl 4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-methylbenzoate (PubChem CID 118045392) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is methyl 4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-methylbenzoate.

Molecular Properties

Compound Namemethyl 4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-methylbenzoate
PubChem CID118045392
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Namemethyl 4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-methylbenzoate
SMILESCOC(=O)c1ccc(-c2cc(-c3cnn(C)c3)cnc2N)cc1C
InChIInChI=1S/C18H18N4O2/c1-11-6-12(4-5-15(11)18(23)24-3)16-7-13(8-20-17(16)19)14-9-21-22(2)10-14/h4-10H,1-3H3,(H2,19,20)
InChIKeyOAURKRAGDVXHBF-UHFFFAOYSA-N
XLogP2.83
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-methylbenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-(6-amino-5-methyl-3-pyridinyl)benzoate
CID 82556066
methyl 3-(1-methylpyrazol-4-yl)quinoline-6-carboxylate
CID 141370295
4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-fluoro-N-[1-[3-fluoro-5-(fluoromethyl)phenyl]-2-hydroxyethyl]benzamide
CID 118046103
2-amino-N-[(3R)-1-[4-(4-methoxy-3,5-dimethylphenyl)benzoyl]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 142326073
methyl 2-chloro-4-iodobenzoate;methyl 2-chloro-4-(1-methylpyrazol-4-yl)benzoate
CID 158275466
methyl 4-(6-methoxy-3-pyridinyl)-2-methylbenzoate
CID 18617593
methyl 4-[2-amino-5-(4-morpholin-4-ylphenyl)-3-pyridinyl]benzoate
CID 175443444
4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-N-[(3R,5R)-5-(3-chloro-4-fluorophenyl)-1-methyl-4-sulfanylpiperidin-3-yl]-2-fluorobenzamide
CID 163757094
(5-methoxy-2-methoxycarbonylphenyl) (3R)-3-[[2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carbonyl]amino]pyrrolidine-1-carboxylate
CID 142325702
methyl 4-(5-fluoro-2-methoxy-4-pyridinyl)-2-methylbenzoate
CID 155342094
methyl 4-(2-amino-4-bromo-3-pyridinyl)-2-methylbenzoate
CID 172823678
3-[2-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]ethynyl]-N-(4-methoxyphenyl)-4-methylbenzamide
CID 155522641

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-methylbenzoate?
The IUPAC name of methyl 4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-methylbenzoate (CID 118045392) is methyl 4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-methylbenzoate.
What is the SMILES notation for methyl 4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-methylbenzoate?
The canonical SMILES for methyl 4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-methylbenzoate is COC(=O)c1ccc(-c2cc(-c3cnn(C)c3)cnc2N)cc1C.
What is the InChIKey of methyl 4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-methylbenzoate?
The InChIKey is OAURKRAGDVXHBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-11-6-12(4-5-15(11)18(23)24-3)16-7-13(8-20-17(16)19)14-9-21-22(2)10-14/h4-10H,1-3H3,(H2,19,20).
What are the key properties of methyl 4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-methylbenzoate?
methyl 4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-methylbenzoate has a molecular weight of 322.37 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-methylbenzoate is sourced from PubChem (CID 118045392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).