[2-[[4-(difluoromethyl)phenyl]methylamino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone

C22H19F2N3O — CID 133474821

IUPAC[2-[[4-(difluoromethyl)phenyl]methylamino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
SMILESO=C(c1cccnc1NCc1ccc(C(F)F)cc1)N1CCc2ccccc21
InChIInChI=1S/C22H19F2N3O/c23-20(24)17-9-7-15(8-10-17)14-26-21-18(5-3-12-25-21)22(28)27-13-11-16-4-1-2-6-19(16)27/h1-10,12,20H,11,13-14H2,(H,25,26)
InChIKeySRYAFXVFBRAWJF-UHFFFAOYSA-N
MW379.41 g/mol
LogP4.83
Rot. Bonds5

About [2-[[4-(difluoromethyl)phenyl]methylamino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone

[2-[[4-(difluoromethyl)phenyl]methylamino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone (PubChem CID 133474821) has the molecular formula C22H19F2N3O and a molecular weight of 379.41 g/mol. Its IUPAC name is [2-[[4-(difluoromethyl)phenyl]methylamino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name[2-[[4-(difluoromethyl)phenyl]methylamino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
PubChem CID133474821
Molecular FormulaC22H19F2N3O
Molecular Weight379.41 g/mol
Exact Mass379.15
IUPAC Name[2-[[4-(difluoromethyl)phenyl]methylamino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
SMILESO=C(c1cccnc1NCc1ccc(C(F)F)cc1)N1CCc2ccccc21
InChIInChI=1S/C22H19F2N3O/c23-20(24)17-9-7-15(8-10-17)14-26-21-18(5-3-12-25-21)22(28)27-13-11-16-4-1-2-6-19(16)27/h1-10,12,20H,11,13-14H2,(H,25,26)
InChIKeySRYAFXVFBRAWJF-UHFFFAOYSA-N
XLogP4.83
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.41
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(4-bromophenyl)methylamino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
CID 133320455
2,3-dihydroindol-1-yl-[2-[(2-phenylcyclopropyl)methylamino]-3-pyridinyl]methanone
CID 133322063
2,3-dihydroindol-1-yl-[2-[[2-hydroxy-2-(2-methylphenyl)ethyl]amino]-3-pyridinyl]methanone
CID 133342903
2,3-dihydroindol-1-yl-[2-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]-3-pyridinyl]methanone
CID 133491606
[2-[2-(5-bromofuran-2-yl)ethylamino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
CID 133374967
2,3-dihydroindol-1-yl-[2-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methylamino]-3-pyridinyl]methanone
CID 133321187
[2-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
CID 133348597
2,3-dihydroindol-1-yl-[2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propylamino]-3-pyridinyl]methanone
CID 133347562
2,3-dihydroindol-1-yl-[2-[3-(1-methylbenzimidazol-2-yl)propylamino]-3-pyridinyl]methanone
CID 133346714
2,3-dihydroindol-1-yl-[2-[(2-phenyloxan-4-yl)amino]-3-pyridinyl]methanone
CID 133474291
2,3-dihydroindol-1-yl-[2-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methylamino]-3-pyridinyl]methanone
CID 133321999
2,3-dihydroindol-1-yl-[2-[1-(1-phenyltriazol-4-yl)ethylamino]-3-pyridinyl]methanone
CID 133365342

Frequently Asked Questions

What is the IUPAC name of [2-[[4-(difluoromethyl)phenyl]methylamino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone?
The IUPAC name of [2-[[4-(difluoromethyl)phenyl]methylamino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone (CID 133474821) is [2-[[4-(difluoromethyl)phenyl]methylamino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for [2-[[4-(difluoromethyl)phenyl]methylamino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for [2-[[4-(difluoromethyl)phenyl]methylamino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone is O=C(c1cccnc1NCc1ccc(C(F)F)cc1)N1CCc2ccccc21.
What is the InChIKey of [2-[[4-(difluoromethyl)phenyl]methylamino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone?
The InChIKey is SRYAFXVFBRAWJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2N3O/c23-20(24)17-9-7-15(8-10-17)14-26-21-18(5-3-12-25-21)22(28)27-13-11-16-4-1-2-6-19(16)27/h1-10,12,20H,11,13-14H2,(H,25,26).
What are the key properties of [2-[[4-(difluoromethyl)phenyl]methylamino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone?
[2-[[4-(difluoromethyl)phenyl]methylamino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone has a molecular weight of 379.41 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[4-(difluoromethyl)phenyl]methylamino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 133474821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).