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

C21H23N5O2 — CID 118471329

IUPAC3,4-dihydro-2H-chromen-2-yl-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone
SMILESCc1cc(C2CCCN(C(=O)C3CCc4ccccc4O3)C2)n2ncnc2n1
InChIInChI=1S/C21H23N5O2/c1-14-11-17(26-21(24-14)22-13-23-26)16-6-4-10-25(12-16)20(27)19-9-8-15-5-2-3-7-18(15)28-19/h2-3,5,7,11,13,16,19H,4,6,8-10,12H2,1H3
InChIKeyOVXCEZRCYSVIKK-UHFFFAOYSA-N
MW377.45 g/mol
LogP2.53
Rot. Bonds2

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

3,4-dihydro-2H-chromen-2-yl-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone (PubChem CID 118471329) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is 3,4-dihydro-2H-chromen-2-yl-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-chromen-2-yl-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone
PubChem CID118471329
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name3,4-dihydro-2H-chromen-2-yl-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone
SMILESCc1cc(C2CCCN(C(=O)C3CCc4ccccc4O3)C2)n2ncnc2n1
InChIInChI=1S/C21H23N5O2/c1-14-11-17(26-21(24-14)22-13-23-26)16-6-4-10-25(12-16)20(27)19-9-8-15-5-2-3-7-18(15)28-19/h2-3,5,7,11,13,16,19H,4,6,8-10,12H2,1H3
InChIKeyOVXCEZRCYSVIKK-UHFFFAOYSA-N
XLogP2.53
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-chromen-2-yl-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone?
The IUPAC name of 3,4-dihydro-2H-chromen-2-yl-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone (CID 118471329) is 3,4-dihydro-2H-chromen-2-yl-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone.
What is the SMILES notation for 3,4-dihydro-2H-chromen-2-yl-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone?
The canonical SMILES for 3,4-dihydro-2H-chromen-2-yl-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone is Cc1cc(C2CCCN(C(=O)C3CCc4ccccc4O3)C2)n2ncnc2n1.
What is the InChIKey of 3,4-dihydro-2H-chromen-2-yl-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone?
The InChIKey is OVXCEZRCYSVIKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-14-11-17(26-21(24-14)22-13-23-26)16-6-4-10-25(12-16)20(27)19-9-8-15-5-2-3-7-18(15)28-19/h2-3,5,7,11,13,16,19H,4,6,8-10,12H2,1H3.
What are the key properties of 3,4-dihydro-2H-chromen-2-yl-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone?
3,4-dihydro-2H-chromen-2-yl-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone has a molecular weight of 377.45 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-chromen-2-yl-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 118471329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).