methyl 5-[[3-chloro-1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]pyridine-2-carboxylate

C21H13ClF3N5O3 — CID 175176612

IUPACmethyl 5-[[3-chloro-1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(NC(=O)c2c(Cl)nn(-c3cccc4ncccc34)c2C(F)(F)F)cn1
InChIInChI=1S/C21H13ClF3N5O3/c1-33-20(32)14-8-7-11(10-27-14)28-19(31)16-17(21(23,24)25)30(29-18(16)22)15-6-2-5-13-12(15)4-3-9-26-13/h2-10H,1H3,(H,28,31)
InChIKeyRLJCUMOAGFPJDM-UHFFFAOYSA-N
MW475.81 g/mol
LogP4.53
Rot. Bonds4

About methyl 5-[[3-chloro-1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]pyridine-2-carboxylate

methyl 5-[[3-chloro-1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]pyridine-2-carboxylate (PubChem CID 175176612) has the molecular formula C21H13ClF3N5O3 and a molecular weight of 475.81 g/mol. Its IUPAC name is methyl 5-[[3-chloro-1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[3-chloro-1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]pyridine-2-carboxylate
PubChem CID175176612
Molecular FormulaC21H13ClF3N5O3
Molecular Weight475.81 g/mol
Exact Mass475.07
IUPAC Namemethyl 5-[[3-chloro-1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(NC(=O)c2c(Cl)nn(-c3cccc4ncccc34)c2C(F)(F)F)cn1
InChIInChI=1S/C21H13ClF3N5O3/c1-33-20(32)14-8-7-11(10-27-14)28-19(31)16-17(21(23,24)25)30(29-18(16)22)15-6-2-5-13-12(15)4-3-9-26-13/h2-10H,1H3,(H,28,31)
InChIKeyRLJCUMOAGFPJDM-UHFFFAOYSA-N
XLogP4.53
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.81
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 5-[[3-chloro-1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]pyridine-2-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

N-(5-isocyano-6-methoxy-3-pyridinyl)-1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 140879746
1-quinolin-5-yl-5-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-carboxamide
CID 134610182
N-[5-chloro-6-(triazolo[4,5-c]pyridin-2-yl)-3-pyridinyl]-1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 134610001
N-[5-chloro-6-(4-cyanotriazol-2-yl)-3-pyridinyl]-1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 134609953
N-[3-chloro-4-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)phenyl]-1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 137277273
N-[5-chloro-6-(5-cyanotriazol-1-yl)-3-pyridinyl]-1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 134609813
methyl 6-chloro-4-[[1-(1-oxo-2H-isoquinolin-5-yl)-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]pyridine-2-carboxylate
CID 177228243
N-[3-methylsulfonyl-4-(triazol-1-yl)phenyl]-1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 134610088
N-(5-cyano-6-cyclopropyl-3-pyridinyl)-1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 175593789
methyl 5-[(6-methoxycarbonyl-3-pyridinyl)carbamoyl]pyridine-2-carboxylate
CID 166208657
N-(5-cyano-6-cyclopropyloxy-3-pyridinyl)-1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 134610153
1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carbaldehyde
CID 135169863

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[3-chloro-1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]pyridine-2-carboxylate?
The IUPAC name of methyl 5-[[3-chloro-1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]pyridine-2-carboxylate (CID 175176612) is methyl 5-[[3-chloro-1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-[[3-chloro-1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]pyridine-2-carboxylate?
The canonical SMILES for methyl 5-[[3-chloro-1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]pyridine-2-carboxylate is COC(=O)c1ccc(NC(=O)c2c(Cl)nn(-c3cccc4ncccc34)c2C(F)(F)F)cn1.
What is the InChIKey of methyl 5-[[3-chloro-1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]pyridine-2-carboxylate?
The InChIKey is RLJCUMOAGFPJDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13ClF3N5O3/c1-33-20(32)14-8-7-11(10-27-14)28-19(31)16-17(21(23,24)25)30(29-18(16)22)15-6-2-5-13-12(15)4-3-9-26-13/h2-10H,1H3,(H,28,31).
What are the key properties of methyl 5-[[3-chloro-1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]pyridine-2-carboxylate?
methyl 5-[[3-chloro-1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]pyridine-2-carboxylate has a molecular weight of 475.81 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[3-chloro-1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]pyridine-2-carboxylate is sourced from PubChem (CID 175176612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).