[2-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone

C22H26N4O3S — CID 133348597

IUPAC[2-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
SMILESO=C(c1cccnc1NC1CCN(S(=O)(=O)C2CC2)CC1)N1CCc2ccccc21
InChIInChI=1S/C22H26N4O3S/c27-22(26-15-9-16-4-1-2-6-20(16)26)19-5-3-12-23-21(19)24-17-10-13-25(14-11-17)30(28,29)18-7-8-18/h1-6,12,17-18H,7-11,13-15H2,(H,23,24)
InChIKeyNRDGRJYFXLFDSN-UHFFFAOYSA-N
MW426.54 g/mol
LogP2.65
Rot. Bonds5

About [2-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone

[2-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone (PubChem CID 133348597) has the molecular formula C22H26N4O3S and a molecular weight of 426.54 g/mol. Its IUPAC name is [2-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name[2-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
PubChem CID133348597
Molecular FormulaC22H26N4O3S
Molecular Weight426.54 g/mol
Exact Mass426.17
IUPAC Name[2-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
SMILESO=C(c1cccnc1NC1CCN(S(=O)(=O)C2CC2)CC1)N1CCc2ccccc21
InChIInChI=1S/C22H26N4O3S/c27-22(26-15-9-16-4-1-2-6-20(16)26)19-5-3-12-23-21(19)24-17-10-13-25(14-11-17)30(28,29)18-7-8-18/h1-6,12,17-18H,7-11,13-15H2,(H,23,24)
InChIKeyNRDGRJYFXLFDSN-UHFFFAOYSA-N
XLogP2.65
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.54
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

cyclopentyl-[3-[[3-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]amino]pyrrolidin-1-yl]methanone
CID 133366904
2,3-dihydroindol-1-yl-[2-[(2-phenyloxan-4-yl)amino]-3-pyridinyl]methanone
CID 133474291
[2-[(4-bromophenyl)methylamino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
CID 133320455
[2-[[4-(difluoromethyl)phenyl]methylamino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
CID 133474821
2,3-dihydroindol-1-yl-[2-[(2-phenylcyclopropyl)methylamino]-3-pyridinyl]methanone
CID 133322063
(1-cyclopropylsulfonylazetidin-3-yl)-(2,3-dihydroindol-1-yl)methanone
CID 90513387
[2-(cyclopropylamino)-3-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 84574137
2,3-dihydroindol-1-yl-[2-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]-3-pyridinyl]methanone
CID 133491606
2,3-dihydroindol-1-yl-[2-[[2-hydroxy-2-(2-methylphenyl)ethyl]amino]-3-pyridinyl]methanone
CID 133342903
(3-bromo-2-pyridinyl)-(2,3-dihydroindol-1-yl)methanone
CID 107517784
2,3-dihydroindol-1-yl-[2-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methylamino]-3-pyridinyl]methanone
CID 133321187
[2-[2-(5-bromofuran-2-yl)ethylamino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
CID 133374967

Frequently Asked Questions

What is the IUPAC name of [2-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone?
The IUPAC name of [2-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone (CID 133348597) is [2-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for [2-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for [2-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone is O=C(c1cccnc1NC1CCN(S(=O)(=O)C2CC2)CC1)N1CCc2ccccc21.
What is the InChIKey of [2-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone?
The InChIKey is NRDGRJYFXLFDSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3S/c27-22(26-15-9-16-4-1-2-6-20(16)26)19-5-3-12-23-21(19)24-17-10-13-25(14-11-17)30(28,29)18-7-8-18/h1-6,12,17-18H,7-11,13-15H2,(H,23,24).
What are the key properties of [2-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone?
[2-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone has a molecular weight of 426.54 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 133348597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).