methyl 6-[(2-ethylpyrazol-3-yl)amino]-4-(4-fluorophenyl)-5-methyl-2-propan-2-ylpyridine-3-carboxylate

C22H25FN4O2 — CID 59712186

IUPACmethyl 6-[(2-ethylpyrazol-3-yl)amino]-4-(4-fluorophenyl)-5-methyl-2-propan-2-ylpyridine-3-carboxylate
SMILESCCn1nccc1Nc1nc(C(C)C)c(C(=O)OC)c(-c2ccc(F)cc2)c1C
InChIInChI=1S/C22H25FN4O2/c1-6-27-17(11-12-24-27)25-21-14(4)18(15-7-9-16(23)10-8-15)19(22(28)29-5)20(26-21)13(2)3/h7-13H,6H2,1-5H3,(H,25,26)
InChIKeyGMDRLDFMWWJWAS-UHFFFAOYSA-N
MW396.47 g/mol
LogP5.07
Rot. Bonds6

About methyl 6-[(2-ethylpyrazol-3-yl)amino]-4-(4-fluorophenyl)-5-methyl-2-propan-2-ylpyridine-3-carboxylate

methyl 6-[(2-ethylpyrazol-3-yl)amino]-4-(4-fluorophenyl)-5-methyl-2-propan-2-ylpyridine-3-carboxylate (PubChem CID 59712186) has the molecular formula C22H25FN4O2 and a molecular weight of 396.47 g/mol. Its IUPAC name is methyl 6-[(2-ethylpyrazol-3-yl)amino]-4-(4-fluorophenyl)-5-methyl-2-propan-2-ylpyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(2-ethylpyrazol-3-yl)amino]-4-(4-fluorophenyl)-5-methyl-2-propan-2-ylpyridine-3-carboxylate
PubChem CID59712186
Molecular FormulaC22H25FN4O2
Molecular Weight396.47 g/mol
Exact Mass396.20
IUPAC Namemethyl 6-[(2-ethylpyrazol-3-yl)amino]-4-(4-fluorophenyl)-5-methyl-2-propan-2-ylpyridine-3-carboxylate
SMILESCCn1nccc1Nc1nc(C(C)C)c(C(=O)OC)c(-c2ccc(F)cc2)c1C
InChIInChI=1S/C22H25FN4O2/c1-6-27-17(11-12-24-27)25-21-14(4)18(15-7-9-16(23)10-8-15)19(22(28)29-5)20(26-21)13(2)3/h7-13H,6H2,1-5H3,(H,25,26)
InChIKeyGMDRLDFMWWJWAS-UHFFFAOYSA-N
XLogP5.07
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.47
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 6-[(2-ethylpyrazol-3-yl)amino]-4-(4-fluorophenyl)-5-methyl-2-propan-2-ylpyridine-3-carboxylate with MolForge

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Related Compounds

Methyl 2-({[5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]carbonyl}amino)benzoate
CID 2164709
Methyl 4-((5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino)benzoate
CID 654302
Ethyl 4-amino-1-benzyl-6-methylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 10086715
Benzyl 4-amino-6-methyl-1-pentylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 10428093
3-[[2-(3,5-Dimethylpyrazol-1-yl)-5-ethoxycarbonylpyrimidin-4-yl]amino]benzoic acid
CID 662434
Ethyl 2-methyl-7-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 754757
Benzyl 5-methyl-7-(3-pyridinyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
CID 2791002
5-Methyl-7-pyridin-3-yl-4,7-dihydro-tetrazolo[1,5-a]pyrimidine-6-carboxylic acid benzyl ester
CID 2791023
Ethyl 1-ethyl-4-[(4-fluorophenyl)methylamino]pyrazolo[3,4-b]pyridine-5-carboxylate
CID 44561081
Ethyl 6-[3-[(4-benzylphthalazin-1-yl)amino]pyrrolidin-1-yl]pyridine-3-carboxylate
CID 127043214
Ethyl 4-(4-fluoroanilino)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 11151595
Ethyl 4-anilino-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 11185982

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(2-ethylpyrazol-3-yl)amino]-4-(4-fluorophenyl)-5-methyl-2-propan-2-ylpyridine-3-carboxylate?
The IUPAC name of methyl 6-[(2-ethylpyrazol-3-yl)amino]-4-(4-fluorophenyl)-5-methyl-2-propan-2-ylpyridine-3-carboxylate (CID 59712186) is methyl 6-[(2-ethylpyrazol-3-yl)amino]-4-(4-fluorophenyl)-5-methyl-2-propan-2-ylpyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[(2-ethylpyrazol-3-yl)amino]-4-(4-fluorophenyl)-5-methyl-2-propan-2-ylpyridine-3-carboxylate?
The canonical SMILES for methyl 6-[(2-ethylpyrazol-3-yl)amino]-4-(4-fluorophenyl)-5-methyl-2-propan-2-ylpyridine-3-carboxylate is CCn1nccc1Nc1nc(C(C)C)c(C(=O)OC)c(-c2ccc(F)cc2)c1C.
What is the InChIKey of methyl 6-[(2-ethylpyrazol-3-yl)amino]-4-(4-fluorophenyl)-5-methyl-2-propan-2-ylpyridine-3-carboxylate?
The InChIKey is GMDRLDFMWWJWAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O2/c1-6-27-17(11-12-24-27)25-21-14(4)18(15-7-9-16(23)10-8-15)19(22(28)29-5)20(26-21)13(2)3/h7-13H,6H2,1-5H3,(H,25,26).
What are the key properties of methyl 6-[(2-ethylpyrazol-3-yl)amino]-4-(4-fluorophenyl)-5-methyl-2-propan-2-ylpyridine-3-carboxylate?
methyl 6-[(2-ethylpyrazol-3-yl)amino]-4-(4-fluorophenyl)-5-methyl-2-propan-2-ylpyridine-3-carboxylate has a molecular weight of 396.47 g/mol, XLogP of 5.07, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(2-ethylpyrazol-3-yl)amino]-4-(4-fluorophenyl)-5-methyl-2-propan-2-ylpyridine-3-carboxylate is sourced from PubChem (CID 59712186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).