7-chloro-5-[2-cyclopropyl-6-(difluoromethyl)-8-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-1,3-dihydroindol-2-one

C19H15ClF2N4O — CID 134452617

IUPAC7-chloro-5-[2-cyclopropyl-6-(difluoromethyl)-8-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-1,3-dihydroindol-2-one
SMILESCc1cc(C(F)F)c(-c2cc(Cl)c3c(c2)CC(=O)N3)n2nc(C3CC3)nc12
InChIInChI=1S/C19H15ClF2N4O/c1-8-4-12(17(21)22)16(26-19(8)24-18(25-26)9-2-3-9)11-5-10-7-14(27)23-15(10)13(20)6-11/h4-6,9,17H,2-3,7H2,1H3,(H,23,27)
InChIKeyZJNKUWNCLMAXSU-UHFFFAOYSA-N
MW388.81 g/mol
LogP4.67
Rot. Bonds3

About 7-chloro-5-[2-cyclopropyl-6-(difluoromethyl)-8-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-1,3-dihydroindol-2-one

7-chloro-5-[2-cyclopropyl-6-(difluoromethyl)-8-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-1,3-dihydroindol-2-one (PubChem CID 134452617) has the molecular formula C19H15ClF2N4O and a molecular weight of 388.81 g/mol. Its IUPAC name is 7-chloro-5-[2-cyclopropyl-6-(difluoromethyl)-8-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name7-chloro-5-[2-cyclopropyl-6-(difluoromethyl)-8-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-1,3-dihydroindol-2-one
PubChem CID134452617
Molecular FormulaC19H15ClF2N4O
Molecular Weight388.81 g/mol
Exact Mass388.09
IUPAC Name7-chloro-5-[2-cyclopropyl-6-(difluoromethyl)-8-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-1,3-dihydroindol-2-one
SMILESCc1cc(C(F)F)c(-c2cc(Cl)c3c(c2)CC(=O)N3)n2nc(C3CC3)nc12
InChIInChI=1S/C19H15ClF2N4O/c1-8-4-12(17(21)22)16(26-19(8)24-18(25-26)9-2-3-9)11-5-10-7-14(27)23-15(10)13(20)6-11/h4-6,9,17H,2-3,7H2,1H3,(H,23,27)
InChIKeyZJNKUWNCLMAXSU-UHFFFAOYSA-N
XLogP4.67
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.81
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-[2-cyclopropyl-6-(difluoromethyl)-8-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-1,3-dihydroindol-2-one?
The IUPAC name of 7-chloro-5-[2-cyclopropyl-6-(difluoromethyl)-8-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-1,3-dihydroindol-2-one (CID 134452617) is 7-chloro-5-[2-cyclopropyl-6-(difluoromethyl)-8-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 7-chloro-5-[2-cyclopropyl-6-(difluoromethyl)-8-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-1,3-dihydroindol-2-one?
The canonical SMILES for 7-chloro-5-[2-cyclopropyl-6-(difluoromethyl)-8-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-1,3-dihydroindol-2-one is Cc1cc(C(F)F)c(-c2cc(Cl)c3c(c2)CC(=O)N3)n2nc(C3CC3)nc12.
What is the InChIKey of 7-chloro-5-[2-cyclopropyl-6-(difluoromethyl)-8-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-1,3-dihydroindol-2-one?
The InChIKey is ZJNKUWNCLMAXSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClF2N4O/c1-8-4-12(17(21)22)16(26-19(8)24-18(25-26)9-2-3-9)11-5-10-7-14(27)23-15(10)13(20)6-11/h4-6,9,17H,2-3,7H2,1H3,(H,23,27).
What are the key properties of 7-chloro-5-[2-cyclopropyl-6-(difluoromethyl)-8-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-1,3-dihydroindol-2-one?
7-chloro-5-[2-cyclopropyl-6-(difluoromethyl)-8-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-1,3-dihydroindol-2-one has a molecular weight of 388.81 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-[2-cyclopropyl-6-(difluoromethyl)-8-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 134452617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).