3-(3-methylimidazo[4,5-b]pyridin-2-yl)-N-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide

C19H18F3N5O — CID 53191231

IUPAC3-(3-methylimidazo[4,5-b]pyridin-2-yl)-N-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
SMILESCn1c(C2CCN(C(=O)Nc3cccc(C(F)(F)F)c3)C2)nc2cccnc21
InChIInChI=1S/C19H18F3N5O/c1-26-16(25-15-6-3-8-23-17(15)26)12-7-9-27(11-12)18(28)24-14-5-2-4-13(10-14)19(20,21)22/h2-6,8,10,12H,7,9,11H2,1H3,(H,24,28)
InChIKeyMUYSXWIOQWMIKJ-UHFFFAOYSA-N
MW389.38 g/mol
LogP4.01
Rot. Bonds2

About 3-(3-methylimidazo[4,5-b]pyridin-2-yl)-N-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide

3-(3-methylimidazo[4,5-b]pyridin-2-yl)-N-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide (PubChem CID 53191231) has the molecular formula C19H18F3N5O and a molecular weight of 389.38 g/mol. Its IUPAC name is 3-(3-methylimidazo[4,5-b]pyridin-2-yl)-N-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-(3-methylimidazo[4,5-b]pyridin-2-yl)-N-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
PubChem CID53191231
Molecular FormulaC19H18F3N5O
Molecular Weight389.38 g/mol
Exact Mass389.15
IUPAC Name3-(3-methylimidazo[4,5-b]pyridin-2-yl)-N-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
SMILESCn1c(C2CCN(C(=O)Nc3cccc(C(F)(F)F)c3)C2)nc2cccnc21
InChIInChI=1S/C19H18F3N5O/c1-26-16(25-15-6-3-8-23-17(15)26)12-7-9-27(11-12)18(28)24-14-5-2-4-13(10-14)19(20,21)22/h2-6,8,10,12H,7,9,11H2,1H3,(H,24,28)
InChIKeyMUYSXWIOQWMIKJ-UHFFFAOYSA-N
XLogP4.01
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.38
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-ethylimidazo[4,5-b]pyridin-2-yl)-N-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 53191248
(3R)-3-(3-methylimidazo[4,5-b]pyridin-2-yl)-N-(3-methylsulfanylphenyl)pyrrolidine-1-carboxamide
CID 95110255
N-(3,5-dimethylphenyl)-3-(3-methylimidazo[4,5-b]pyridin-2-yl)pyrrolidine-1-carboxamide
CID 87054297
3-(methylamino)-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 62536564
N,4-bis[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 162535440
N-(3-fluoro-4-methoxyphenyl)-3-(3-propylimidazo[4,5-b]pyridin-2-yl)pyrrolidine-1-carboxamide
CID 87054348
4-hydroxy-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 4251973
1-[(3R)-3-(3-methylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-2-(4-methylphenyl)ethanone
CID 95110073
(3R)-N-(3-methoxyphenyl)-3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carboxamide
CID 97429379
3-acetamido-N-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 72862706
3-methyl-2-(1-methylpiperidin-3-yl)imidazo[4,5-b]pyridine
CID 117162037
1-N-[3-(trifluoromethyl)phenyl]piperidine-1,3-dicarboxamide
CID 5297464

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylimidazo[4,5-b]pyridin-2-yl)-N-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide?
The IUPAC name of 3-(3-methylimidazo[4,5-b]pyridin-2-yl)-N-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide (CID 53191231) is 3-(3-methylimidazo[4,5-b]pyridin-2-yl)-N-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-(3-methylimidazo[4,5-b]pyridin-2-yl)-N-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide?
The canonical SMILES for 3-(3-methylimidazo[4,5-b]pyridin-2-yl)-N-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide is Cn1c(C2CCN(C(=O)Nc3cccc(C(F)(F)F)c3)C2)nc2cccnc21.
What is the InChIKey of 3-(3-methylimidazo[4,5-b]pyridin-2-yl)-N-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide?
The InChIKey is MUYSXWIOQWMIKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N5O/c1-26-16(25-15-6-3-8-23-17(15)26)12-7-9-27(11-12)18(28)24-14-5-2-4-13(10-14)19(20,21)22/h2-6,8,10,12H,7,9,11H2,1H3,(H,24,28).
What are the key properties of 3-(3-methylimidazo[4,5-b]pyridin-2-yl)-N-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide?
3-(3-methylimidazo[4,5-b]pyridin-2-yl)-N-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide has a molecular weight of 389.38 g/mol, XLogP of 4.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylimidazo[4,5-b]pyridin-2-yl)-N-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 53191231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).