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

C16H7ClF6N4O — CID 122654353

IUPAC5-[2,5-bis(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-7-chloro-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(-n3c(C(F)(F)F)nc4ccc(C(F)(F)F)nc43)cc(Cl)c2N1
InChIInChI=1S/C16H7ClF6N4O/c17-8-5-7(3-6-4-11(28)26-12(6)8)27-13-9(24-14(27)16(21,22)23)1-2-10(25-13)15(18,19)20/h1-3,5H,4H2,(H,26,28)
InChIKeyUFHLRXKUCGMXMN-UHFFFAOYSA-N
MW420.70 g/mol
LogP4.61
Rot. Bonds1

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

5-[2,5-bis(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-7-chloro-1,3-dihydroindol-2-one (PubChem CID 122654353) has the molecular formula C16H7ClF6N4O and a molecular weight of 420.70 g/mol. Its IUPAC name is 5-[2,5-bis(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-7-chloro-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[2,5-bis(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-7-chloro-1,3-dihydroindol-2-one
PubChem CID122654353
Molecular FormulaC16H7ClF6N4O
Molecular Weight420.70 g/mol
Exact Mass420.02
IUPAC Name5-[2,5-bis(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-7-chloro-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(-n3c(C(F)(F)F)nc4ccc(C(F)(F)F)nc43)cc(Cl)c2N1
InChIInChI=1S/C16H7ClF6N4O/c17-8-5-7(3-6-4-11(28)26-12(6)8)27-13-9(24-14(27)16(21,22)23)1-2-10(25-13)15(18,19)20/h1-3,5H,4H2,(H,26,28)
InChIKeyUFHLRXKUCGMXMN-UHFFFAOYSA-N
XLogP4.61
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.70
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2,5-bis(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-7-chloro-1,3-dihydroindol-2-one?
The IUPAC name of 5-[2,5-bis(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-7-chloro-1,3-dihydroindol-2-one (CID 122654353) is 5-[2,5-bis(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-7-chloro-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[2,5-bis(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-7-chloro-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[2,5-bis(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-7-chloro-1,3-dihydroindol-2-one is O=C1Cc2cc(-n3c(C(F)(F)F)nc4ccc(C(F)(F)F)nc43)cc(Cl)c2N1.
What is the InChIKey of 5-[2,5-bis(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-7-chloro-1,3-dihydroindol-2-one?
The InChIKey is UFHLRXKUCGMXMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H7ClF6N4O/c17-8-5-7(3-6-4-11(28)26-12(6)8)27-13-9(24-14(27)16(21,22)23)1-2-10(25-13)15(18,19)20/h1-3,5H,4H2,(H,26,28).
What are the key properties of 5-[2,5-bis(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-7-chloro-1,3-dihydroindol-2-one?
5-[2,5-bis(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-7-chloro-1,3-dihydroindol-2-one has a molecular weight of 420.70 g/mol, XLogP of 4.61, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,5-bis(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-7-chloro-1,3-dihydroindol-2-one is sourced from PubChem (CID 122654353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).