2,3-dihydro-1H-inden-5-yl-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone

C21H23N5O — CID 118472547

IUPAC2,3-dihydro-1H-inden-5-yl-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone
SMILESCc1cc(C2CCCN(C(=O)c3ccc4c(c3)CCC4)C2)n2ncnc2n1
InChIInChI=1S/C21H23N5O/c1-14-10-19(26-21(24-14)22-13-23-26)18-6-3-9-25(12-18)20(27)17-8-7-15-4-2-5-16(15)11-17/h7-8,10-11,13,18H,2-6,9,12H2,1H3
InChIKeyPMUIGVOIIHXIPC-UHFFFAOYSA-N
MW361.45 g/mol
LogP2.94
Rot. Bonds2

About 2,3-dihydro-1H-inden-5-yl-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone

2,3-dihydro-1H-inden-5-yl-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone (PubChem CID 118472547) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is 2,3-dihydro-1H-inden-5-yl-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name2,3-dihydro-1H-inden-5-yl-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone
PubChem CID118472547
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC Name2,3-dihydro-1H-inden-5-yl-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone
SMILESCc1cc(C2CCCN(C(=O)c3ccc4c(c3)CCC4)C2)n2ncnc2n1
InChIInChI=1S/C21H23N5O/c1-14-10-19(26-21(24-14)22-13-23-26)18-6-3-9-25(12-18)20(27)17-8-7-15-4-2-5-16(15)11-17/h7-8,10-11,13,18H,2-6,9,12H2,1H3
InChIKeyPMUIGVOIIHXIPC-UHFFFAOYSA-N
XLogP2.94
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(3S)-3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-naphthalen-2-ylmethanone
CID 118471483
CID 118479645
CID 118479645
[3-(5-Methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-naphthalen-2-ylmethanone
CID 118470985
[3,3-Difluoro-5-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-naphthalen-2-ylmethanone
CID 118471136
N-ethyl-N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-5-methyl-2-pyrimidin-2-ylbenzamide
CID 57389723
5-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-2H-isoquinolin-1-one
CID 57398540
N-ethyl-N-[(2S)-1-[5-(5-fluoro-2-pyridinyl)tetrazol-2-yl]propan-2-yl]-5-methyl-2-pyrimidin-2-ylbenzamide
CID 72699430
N-[(4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-3-(1,4-dimethyl-1H-pyrazol-5-yl)-2-methyl-5-[2-(methylamino)pyrimidin-5-yl]benzamide
CID 118324431
(3-Chloro-4-fluorophenyl)-[3,3-difluoro-5-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone
CID 118471014
[3,3-Difluoro-5-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(4-fluoro-3-iodophenyl)methanone
CID 118471029
[(3R)-3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-naphthalen-2-ylmethanone
CID 118471479
(4-Fluoro-3-methylphenyl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone
CID 118471525

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-inden-5-yl-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone?
The IUPAC name of 2,3-dihydro-1H-inden-5-yl-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone (CID 118472547) is 2,3-dihydro-1H-inden-5-yl-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone.
What is the SMILES notation for 2,3-dihydro-1H-inden-5-yl-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone?
The canonical SMILES for 2,3-dihydro-1H-inden-5-yl-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone is Cc1cc(C2CCCN(C(=O)c3ccc4c(c3)CCC4)C2)n2ncnc2n1.
What is the InChIKey of 2,3-dihydro-1H-inden-5-yl-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone?
The InChIKey is PMUIGVOIIHXIPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c1-14-10-19(26-21(24-14)22-13-23-26)18-6-3-9-25(12-18)20(27)17-8-7-15-4-2-5-16(15)11-17/h7-8,10-11,13,18H,2-6,9,12H2,1H3.
What are the key properties of 2,3-dihydro-1H-inden-5-yl-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone?
2,3-dihydro-1H-inden-5-yl-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone has a molecular weight of 361.45 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-inden-5-yl-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 118472547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).