2,3-dihydroindol-1-yl-[2-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methylamino]-3-pyridinyl]methanone

C25H29N5OS — CID 133321999

IUPAC2,3-dihydroindol-1-yl-[2-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methylamino]-3-pyridinyl]methanone
SMILESCc1nc(CN2CCC(CNc3ncccc3C(=O)N3CCc4ccccc43)CC2)cs1
InChIInChI=1S/C25H29N5OS/c1-18-28-21(17-32-18)16-29-12-8-19(9-13-29)15-27-24-22(6-4-11-26-24)25(31)30-14-10-20-5-2-3-7-23(20)30/h2-7,11,17,19H,8-10,12-16H2,1H3,(H,26,27)
InChIKeyDMRWOTHJFAJCOD-UHFFFAOYSA-N
MW447.61 g/mol
LogP4.37
Rot. Bonds6

About 2,3-dihydroindol-1-yl-[2-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methylamino]-3-pyridinyl]methanone

2,3-dihydroindol-1-yl-[2-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methylamino]-3-pyridinyl]methanone (PubChem CID 133321999) has the molecular formula C25H29N5OS and a molecular weight of 447.61 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-[2-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methylamino]-3-pyridinyl]methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-[2-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methylamino]-3-pyridinyl]methanone
PubChem CID133321999
Molecular FormulaC25H29N5OS
Molecular Weight447.61 g/mol
Exact Mass447.21
IUPAC Name2,3-dihydroindol-1-yl-[2-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methylamino]-3-pyridinyl]methanone
SMILESCc1nc(CN2CCC(CNc3ncccc3C(=O)N3CCc4ccccc43)CC2)cs1
InChIInChI=1S/C25H29N5OS/c1-18-28-21(17-32-18)16-29-12-8-19(9-13-29)15-27-24-22(6-4-11-26-24)25(31)30-14-10-20-5-2-3-7-23(20)30/h2-7,11,17,19H,8-10,12-16H2,1H3,(H,26,27)
InChIKeyDMRWOTHJFAJCOD-UHFFFAOYSA-N
XLogP4.37
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.61
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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-[(4-bromophenyl)methylamino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
CID 133320455
2-methyl-4-(1,2,4,5-tetrahydro-3-benzazepin-3-ylmethyl)-1,3-thiazole
CID 157011120
2,3-dihydroindol-1-yl-[2-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]-3-pyridinyl]methanone
CID 133491606
N-methyl-1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanamine
CID 63250806
[2-[2-(5-bromofuran-2-yl)ethylamino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
CID 133374967
2,3-dihydroindol-1-yl-[2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propylamino]-3-pyridinyl]methanone
CID 133347562
N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]-4-phenyl-1,3-thiazol-2-amine
CID 133372614
2-methyl-N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]propan-2-amine
CID 55258935
[2-[[4-(difluoromethyl)phenyl]methylamino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
CID 133474821
2,3-dihydroindol-1-yl-[2-[3-(1-methylbenzimidazol-2-yl)propylamino]-3-pyridinyl]methanone
CID 133346714

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-[2-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methylamino]-3-pyridinyl]methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-[2-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methylamino]-3-pyridinyl]methanone (CID 133321999) is 2,3-dihydroindol-1-yl-[2-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methylamino]-3-pyridinyl]methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-[2-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methylamino]-3-pyridinyl]methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-[2-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methylamino]-3-pyridinyl]methanone is Cc1nc(CN2CCC(CNc3ncccc3C(=O)N3CCc4ccccc43)CC2)cs1.
What is the InChIKey of 2,3-dihydroindol-1-yl-[2-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methylamino]-3-pyridinyl]methanone?
The InChIKey is DMRWOTHJFAJCOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5OS/c1-18-28-21(17-32-18)16-29-12-8-19(9-13-29)15-27-24-22(6-4-11-26-24)25(31)30-14-10-20-5-2-3-7-23(20)30/h2-7,11,17,19H,8-10,12-16H2,1H3,(H,26,27).
What are the key properties of 2,3-dihydroindol-1-yl-[2-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methylamino]-3-pyridinyl]methanone?
2,3-dihydroindol-1-yl-[2-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methylamino]-3-pyridinyl]methanone has a molecular weight of 447.61 g/mol, XLogP of 4.37, 6 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-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methylamino]-3-pyridinyl]methanone is sourced from PubChem (CID 133321999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).