2,3-dihydroindol-1-yl-[2-[1-(1-phenyltriazol-4-yl)ethylamino]-3-pyridinyl]methanone

C24H22N6O — CID 133365342

IUPAC2,3-dihydroindol-1-yl-[2-[1-(1-phenyltriazol-4-yl)ethylamino]-3-pyridinyl]methanone
SMILESCC(Nc1ncccc1C(=O)N1CCc2ccccc21)c1cn(-c2ccccc2)nn1
InChIInChI=1S/C24H22N6O/c1-17(21-16-30(28-27-21)19-9-3-2-4-10-19)26-23-20(11-7-14-25-23)24(31)29-15-13-18-8-5-6-12-22(18)29/h2-12,14,16-17H,13,15H2,1H3,(H,25,26)
InChIKeyISUOSMYOUAMYPN-UHFFFAOYSA-N
MW410.48 g/mol
LogP4.04
Rot. Bonds5

About 2,3-dihydroindol-1-yl-[2-[1-(1-phenyltriazol-4-yl)ethylamino]-3-pyridinyl]methanone

2,3-dihydroindol-1-yl-[2-[1-(1-phenyltriazol-4-yl)ethylamino]-3-pyridinyl]methanone (PubChem CID 133365342) has the molecular formula C24H22N6O and a molecular weight of 410.48 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-[2-[1-(1-phenyltriazol-4-yl)ethylamino]-3-pyridinyl]methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-[2-[1-(1-phenyltriazol-4-yl)ethylamino]-3-pyridinyl]methanone
PubChem CID133365342
Molecular FormulaC24H22N6O
Molecular Weight410.48 g/mol
Exact Mass410.19
IUPAC Name2,3-dihydroindol-1-yl-[2-[1-(1-phenyltriazol-4-yl)ethylamino]-3-pyridinyl]methanone
SMILESCC(Nc1ncccc1C(=O)N1CCc2ccccc21)c1cn(-c2ccccc2)nn1
InChIInChI=1S/C24H22N6O/c1-17(21-16-30(28-27-21)19-9-3-2-4-10-19)26-23-20(11-7-14-25-23)24(31)29-15-13-18-8-5-6-12-22(18)29/h2-12,14,16-17H,13,15H2,1H3,(H,25,26)
InChIKeyISUOSMYOUAMYPN-UHFFFAOYSA-N
XLogP4.04
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,3-dihydroindol-1-yl-[2-[[2-hydroxy-2-(2-methylphenyl)ethyl]amino]-3-pyridinyl]methanone
CID 133342903
2,3-dihydroindol-1-yl-[2-(propan-2-ylamino)phenyl]methanone
CID 63107611
[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-[[4-(difluoromethyl)phenyl]methylamino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
CID 133474821
2,3-dihydroindol-1-yl-[2-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]-3-pyridinyl]methanone
CID 133491606
(3-bromo-2-pyridinyl)-(2,3-dihydroindol-1-yl)methanone
CID 107517784
[6-(butan-2-ylamino)pyridazin-3-yl]-(2,3-dihydroindol-1-yl)methanone
CID 109111436
[2-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
CID 133348597
2,3-dihydroindol-1-yl-[4-(propan-2-ylamino)-2-pyridinyl]methanone
CID 109201577
2,3-dihydroindol-1-yl-[2-[(2-phenyloxan-4-yl)amino]-3-pyridinyl]methanone
CID 133474291
2,3-dihydroindol-1-yl-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methanone
CID 25466745

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-[2-[1-(1-phenyltriazol-4-yl)ethylamino]-3-pyridinyl]methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-[2-[1-(1-phenyltriazol-4-yl)ethylamino]-3-pyridinyl]methanone (CID 133365342) is 2,3-dihydroindol-1-yl-[2-[1-(1-phenyltriazol-4-yl)ethylamino]-3-pyridinyl]methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-[2-[1-(1-phenyltriazol-4-yl)ethylamino]-3-pyridinyl]methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-[2-[1-(1-phenyltriazol-4-yl)ethylamino]-3-pyridinyl]methanone is CC(Nc1ncccc1C(=O)N1CCc2ccccc21)c1cn(-c2ccccc2)nn1.
What is the InChIKey of 2,3-dihydroindol-1-yl-[2-[1-(1-phenyltriazol-4-yl)ethylamino]-3-pyridinyl]methanone?
The InChIKey is ISUOSMYOUAMYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O/c1-17(21-16-30(28-27-21)19-9-3-2-4-10-19)26-23-20(11-7-14-25-23)24(31)29-15-13-18-8-5-6-12-22(18)29/h2-12,14,16-17H,13,15H2,1H3,(H,25,26).
What are the key properties of 2,3-dihydroindol-1-yl-[2-[1-(1-phenyltriazol-4-yl)ethylamino]-3-pyridinyl]methanone?
2,3-dihydroindol-1-yl-[2-[1-(1-phenyltriazol-4-yl)ethylamino]-3-pyridinyl]methanone has a molecular weight of 410.48 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl-[2-[1-(1-phenyltriazol-4-yl)ethylamino]-3-pyridinyl]methanone is sourced from PubChem (CID 133365342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).