3-(2,3-dihydro-1H-indol-5-yl)-2-(3-methyloxetan-3-yl)-5-(trifluoromethyl)imidazo[4,5-b]pyridine

C19H17F3N4O — CID 175719388

IUPAC3-(2,3-dihydro-1H-indol-5-yl)-2-(3-methyloxetan-3-yl)-5-(trifluoromethyl)imidazo[4,5-b]pyridine
SMILESCC1(c2nc3ccc(C(F)(F)F)nc3n2-c2ccc3c(c2)CCN3)COC1
InChIInChI=1S/C19H17F3N4O/c1-18(9-27-10-18)17-24-14-4-5-15(19(20,21)22)25-16(14)26(17)12-2-3-13-11(8-12)6-7-23-13/h2-5,8,23H,6-7,9-10H2,1H3
InChIKeyFQKPUKHBTLJCLO-UHFFFAOYSA-N
MW374.37 g/mol
LogP3.70
Rot. Bonds2

About 3-(2,3-dihydro-1H-indol-5-yl)-2-(3-methyloxetan-3-yl)-5-(trifluoromethyl)imidazo[4,5-b]pyridine

3-(2,3-dihydro-1H-indol-5-yl)-2-(3-methyloxetan-3-yl)-5-(trifluoromethyl)imidazo[4,5-b]pyridine (PubChem CID 175719388) has the molecular formula C19H17F3N4O and a molecular weight of 374.37 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-indol-5-yl)-2-(3-methyloxetan-3-yl)-5-(trifluoromethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-indol-5-yl)-2-(3-methyloxetan-3-yl)-5-(trifluoromethyl)imidazo[4,5-b]pyridine
PubChem CID175719388
Molecular FormulaC19H17F3N4O
Molecular Weight374.37 g/mol
Exact Mass374.14
IUPAC Name3-(2,3-dihydro-1H-indol-5-yl)-2-(3-methyloxetan-3-yl)-5-(trifluoromethyl)imidazo[4,5-b]pyridine
SMILESCC1(c2nc3ccc(C(F)(F)F)nc3n2-c2ccc3c(c2)CCN3)COC1
InChIInChI=1S/C19H17F3N4O/c1-18(9-27-10-18)17-24-14-4-5-15(19(20,21)22)25-16(14)26(17)12-2-3-13-11(8-12)6-7-23-13/h2-5,8,23H,6-7,9-10H2,1H3
InChIKeyFQKPUKHBTLJCLO-UHFFFAOYSA-N
XLogP3.70
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.37
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(1H-indazol-5-yl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]cyclopropan-1-ol
CID 122654553
5-[2-(oxolan-3-yl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-1,3-dihydroindol-2-one
CID 122654619
3-(4-fluorophenyl)-2-methyl-5-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 153345504
5-[2-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-1,3-dihydroindol-2-one
CID 122654569
3-(1H-indazol-5-yl)-2-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 122654554
3-[3-chloro-4-(trifluoromethoxy)phenyl]-2-methyl-5-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 153345637
2-(5-fluoro-2-pyridinyl)-3-(1H-indazol-5-yl)-5-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 122654838
5-(2,4-dimethylimidazol-1-yl)-2,3-dihydro-1H-indole
CID 82512522
(E)-N-(2,3-dihydro-1H-indol-5-yl)-3-[2-(dimethylamino)-6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide
CID 70966483
6-[2-propan-2-yl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-3H-1,3-benzothiazol-2-one
CID 122654641
3-(1H-indazol-5-yl)-2-thiophen-2-yl-5-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 122654519
2-butyl-3-(2,3-dihydro-1H-indol-5-yl)quinazolin-4-one
CID 24989172

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-indol-5-yl)-2-(3-methyloxetan-3-yl)-5-(trifluoromethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 3-(2,3-dihydro-1H-indol-5-yl)-2-(3-methyloxetan-3-yl)-5-(trifluoromethyl)imidazo[4,5-b]pyridine (CID 175719388) is 3-(2,3-dihydro-1H-indol-5-yl)-2-(3-methyloxetan-3-yl)-5-(trifluoromethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-(2,3-dihydro-1H-indol-5-yl)-2-(3-methyloxetan-3-yl)-5-(trifluoromethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 3-(2,3-dihydro-1H-indol-5-yl)-2-(3-methyloxetan-3-yl)-5-(trifluoromethyl)imidazo[4,5-b]pyridine is CC1(c2nc3ccc(C(F)(F)F)nc3n2-c2ccc3c(c2)CCN3)COC1.
What is the InChIKey of 3-(2,3-dihydro-1H-indol-5-yl)-2-(3-methyloxetan-3-yl)-5-(trifluoromethyl)imidazo[4,5-b]pyridine?
The InChIKey is FQKPUKHBTLJCLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O/c1-18(9-27-10-18)17-24-14-4-5-15(19(20,21)22)25-16(14)26(17)12-2-3-13-11(8-12)6-7-23-13/h2-5,8,23H,6-7,9-10H2,1H3.
What are the key properties of 3-(2,3-dihydro-1H-indol-5-yl)-2-(3-methyloxetan-3-yl)-5-(trifluoromethyl)imidazo[4,5-b]pyridine?
3-(2,3-dihydro-1H-indol-5-yl)-2-(3-methyloxetan-3-yl)-5-(trifluoromethyl)imidazo[4,5-b]pyridine has a molecular weight of 374.37 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-indol-5-yl)-2-(3-methyloxetan-3-yl)-5-(trifluoromethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 175719388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).