N-[4-fluoro-3-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]pyrrolidine-1-carboxamide

C18H15F4N5O — CID 155562516

IUPACN-[4-fluoro-3-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccc(F)c(-c2nc3ncc(C(F)(F)F)cc3[nH]2)c1)N1CCCC1
InChIInChI=1S/C18H15F4N5O/c19-13-4-3-11(24-17(28)27-5-1-2-6-27)8-12(13)15-25-14-7-10(18(20,21)22)9-23-16(14)26-15/h3-4,7-9H,1-2,5-6H2,(H,24,28)(H,23,25,26)
InChIKeyURTYCRMPHJCWOH-UHFFFAOYSA-N
MW393.34 g/mol
LogP4.41
Rot. Bonds2

About N-[4-fluoro-3-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]pyrrolidine-1-carboxamide

N-[4-fluoro-3-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]pyrrolidine-1-carboxamide (PubChem CID 155562516) has the molecular formula C18H15F4N5O and a molecular weight of 393.34 g/mol. Its IUPAC name is N-[4-fluoro-3-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[4-fluoro-3-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]pyrrolidine-1-carboxamide
PubChem CID155562516
Molecular FormulaC18H15F4N5O
Molecular Weight393.34 g/mol
Exact Mass393.12
IUPAC NameN-[4-fluoro-3-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccc(F)c(-c2nc3ncc(C(F)(F)F)cc3[nH]2)c1)N1CCCC1
InChIInChI=1S/C18H15F4N5O/c19-13-4-3-11(24-17(28)27-5-1-2-6-27)8-12(13)15-25-14-7-10(18(20,21)22)9-23-16(14)26-15/h3-4,7-9H,1-2,5-6H2,(H,24,28)(H,23,25,26)
InChIKeyURTYCRMPHJCWOH-UHFFFAOYSA-N
XLogP4.41
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.34
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-chloro-3-(6-phenyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]pyrrolidine-1-carboxamide
CID 78425815
N-[4-fluoro-3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 47456948
tert-butyl N-[4-[2-[2-chloro-5-(pyrrolidine-1-carbonylamino)phenyl]-1H-imidazo[4,5-b]pyridin-6-yl]phenyl]-N-methylcarbamate
CID 90403309
1-[3-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-4-fluorophenyl]-3-tert-butylurea
CID 90457251
N-(3,4-difluorophenyl)piperidine-1-carboxamide
CID 90728139
(3R)-3-fluoro-N-[4-fluoro-3-[5-(trifluoromethyl)pyrazolo[3,4-b]pyridin-2-yl]phenyl]pyrrolidine-1-carboxamide
CID 146465457
N-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidine-1-carboxamide
CID 115778116
4-(dimethylamino)-N-[4-fluoro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]butanamide
CID 90403283
N-(3-chloro-4-fluorophenyl)piperidine-1-carboxamide
CID 108987923
N-[4-fluoro-3-[5-(2,2,2-trifluoroethyl)pyrazolo[3,4-b]pyridin-2-yl]phenyl]azetidine-1-carboxamide
CID 142487092
N-[3-[6-(cyclopentanecarbonylamino)imidazo[1,2-a]pyrimidin-2-yl]-4-fluorophenyl]pyrrolidine-1-carboxamide
CID 159449093
2-[3-(2,2,2-trifluoroethoxy)-4-pyridinyl]-6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine
CID 158834270

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-3-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[4-fluoro-3-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]pyrrolidine-1-carboxamide (CID 155562516) is N-[4-fluoro-3-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[4-fluoro-3-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[4-fluoro-3-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]pyrrolidine-1-carboxamide is O=C(Nc1ccc(F)c(-c2nc3ncc(C(F)(F)F)cc3[nH]2)c1)N1CCCC1.
What is the InChIKey of N-[4-fluoro-3-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]pyrrolidine-1-carboxamide?
The InChIKey is URTYCRMPHJCWOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F4N5O/c19-13-4-3-11(24-17(28)27-5-1-2-6-27)8-12(13)15-25-14-7-10(18(20,21)22)9-23-16(14)26-15/h3-4,7-9H,1-2,5-6H2,(H,24,28)(H,23,25,26).
What are the key properties of N-[4-fluoro-3-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]pyrrolidine-1-carboxamide?
N-[4-fluoro-3-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]pyrrolidine-1-carboxamide has a molecular weight of 393.34 g/mol, XLogP of 4.41, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-3-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 155562516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).