7-methyl-5-[2-propan-2-yl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-1,3-dihydroindol-2-one

C19H17F3N4O — CID 122654322

IUPAC7-methyl-5-[2-propan-2-yl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-1,3-dihydroindol-2-one
SMILESCc1cc(-n2c(C(C)C)nc3ccc(C(F)(F)F)nc32)cc2c1NC(=O)C2
InChIInChI=1S/C19H17F3N4O/c1-9(2)17-23-13-4-5-14(19(20,21)22)24-18(13)26(17)12-6-10(3)16-11(7-12)8-15(27)25-16/h4-7,9H,8H2,1-3H3,(H,25,27)
InChIKeyVEJHURZBROSKKF-UHFFFAOYSA-N
MW374.37 g/mol
LogP4.37
Rot. Bonds2

About 7-methyl-5-[2-propan-2-yl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-1,3-dihydroindol-2-one

7-methyl-5-[2-propan-2-yl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-1,3-dihydroindol-2-one (PubChem CID 122654322) has the molecular formula C19H17F3N4O and a molecular weight of 374.37 g/mol. Its IUPAC name is 7-methyl-5-[2-propan-2-yl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name7-methyl-5-[2-propan-2-yl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-1,3-dihydroindol-2-one
PubChem CID122654322
Molecular FormulaC19H17F3N4O
Molecular Weight374.37 g/mol
Exact Mass374.14
IUPAC Name7-methyl-5-[2-propan-2-yl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-1,3-dihydroindol-2-one
SMILESCc1cc(-n2c(C(C)C)nc3ccc(C(F)(F)F)nc32)cc2c1NC(=O)C2
InChIInChI=1S/C19H17F3N4O/c1-9(2)17-23-13-4-5-14(19(20,21)22)24-18(13)26(17)12-6-10(3)16-11(7-12)8-15(27)25-16/h4-7,9H,8H2,1-3H3,(H,25,27)
InChIKeyVEJHURZBROSKKF-UHFFFAOYSA-N
XLogP4.37
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.37
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-5-[2-propan-2-yl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-1,3-dihydroindol-2-one?
The IUPAC name of 7-methyl-5-[2-propan-2-yl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-1,3-dihydroindol-2-one (CID 122654322) is 7-methyl-5-[2-propan-2-yl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 7-methyl-5-[2-propan-2-yl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-1,3-dihydroindol-2-one?
The canonical SMILES for 7-methyl-5-[2-propan-2-yl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-1,3-dihydroindol-2-one is Cc1cc(-n2c(C(C)C)nc3ccc(C(F)(F)F)nc32)cc2c1NC(=O)C2.
What is the InChIKey of 7-methyl-5-[2-propan-2-yl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-1,3-dihydroindol-2-one?
The InChIKey is VEJHURZBROSKKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O/c1-9(2)17-23-13-4-5-14(19(20,21)22)24-18(13)26(17)12-6-10(3)16-11(7-12)8-15(27)25-16/h4-7,9H,8H2,1-3H3,(H,25,27).
What are the key properties of 7-methyl-5-[2-propan-2-yl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-1,3-dihydroindol-2-one?
7-methyl-5-[2-propan-2-yl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-1,3-dihydroindol-2-one has a molecular weight of 374.37 g/mol, XLogP of 4.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-5-[2-propan-2-yl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 122654322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).