5-[(6-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-2-cyclopentyl-2-[2-(2-ethyl-4-pyridinyl)ethyl]-4-hydroxy-3H-pyran-6-one

C25H28ClN5O3 — CID 58762211

IUPAC5-[(6-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-2-cyclopentyl-2-[2-(2-ethyl-4-pyridinyl)ethyl]-4-hydroxy-3H-pyran-6-one
SMILESCCc1cc(CCC2(C3CCCC3)CC(O)=C(Cc3nc4ncc(Cl)cn4n3)C(=O)O2)ccn1
InChIInChI=1S/C25H28ClN5O3/c1-2-19-11-16(8-10-27-19)7-9-25(17-5-3-4-6-17)13-21(32)20(23(33)34-25)12-22-29-24-28-14-18(26)15-31(24)30-22/h8,10-11,14-15,17,32H,2-7,9,12-13H2,1H3
InChIKeyLSVVRTCYQRPZKJ-UHFFFAOYSA-N
MW481.98 g/mol
LogP4.60
Rot. Bonds7

About 5-[(6-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-2-cyclopentyl-2-[2-(2-ethyl-4-pyridinyl)ethyl]-4-hydroxy-3H-pyran-6-one

5-[(6-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-2-cyclopentyl-2-[2-(2-ethyl-4-pyridinyl)ethyl]-4-hydroxy-3H-pyran-6-one (PubChem CID 58762211) has the molecular formula C25H28ClN5O3 and a molecular weight of 481.98 g/mol. Its IUPAC name is 5-[(6-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-2-cyclopentyl-2-[2-(2-ethyl-4-pyridinyl)ethyl]-4-hydroxy-3H-pyran-6-one.

Molecular Properties

Compound Name5-[(6-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-2-cyclopentyl-2-[2-(2-ethyl-4-pyridinyl)ethyl]-4-hydroxy-3H-pyran-6-one
PubChem CID58762211
Molecular FormulaC25H28ClN5O3
Molecular Weight481.98 g/mol
Exact Mass481.19
IUPAC Name5-[(6-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-2-cyclopentyl-2-[2-(2-ethyl-4-pyridinyl)ethyl]-4-hydroxy-3H-pyran-6-one
SMILESCCc1cc(CCC2(C3CCCC3)CC(O)=C(Cc3nc4ncc(Cl)cn4n3)C(=O)O2)ccn1
InChIInChI=1S/C25H28ClN5O3/c1-2-19-11-16(8-10-27-19)7-9-25(17-5-3-4-6-17)13-21(32)20(23(33)34-25)12-22-29-24-28-14-18(26)15-31(24)30-22/h8,10-11,14-15,17,32H,2-7,9,12-13H2,1H3
InChIKeyLSVVRTCYQRPZKJ-UHFFFAOYSA-N
XLogP4.60
TPSA102.50 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.98
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-[(6-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-2-cyclopentyl-2-[2-(2-ethyl-4-pyridinyl)ethyl]-4-hydroxy-3H-pyran-6-one with MolForge

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Related Compounds

CID 54708673
CID 54708673
CID 54676814
CID 54676814
CID 54706917
CID 54706917
CID 54728241
CID 54728241
CID 54728245
CID 54728245
CID 54728246
CID 54728246
CID 54728566
CID 54728566
CID 155532074
CID 155532074
CID 54706529
CID 54706529
CID 54716993
CID 54716993
CID 57477223
CID 57477223
CID 57477227
CID 57477227

Frequently Asked Questions

What is the IUPAC name of 5-[(6-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-2-cyclopentyl-2-[2-(2-ethyl-4-pyridinyl)ethyl]-4-hydroxy-3H-pyran-6-one?
The IUPAC name of 5-[(6-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-2-cyclopentyl-2-[2-(2-ethyl-4-pyridinyl)ethyl]-4-hydroxy-3H-pyran-6-one (CID 58762211) is 5-[(6-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-2-cyclopentyl-2-[2-(2-ethyl-4-pyridinyl)ethyl]-4-hydroxy-3H-pyran-6-one.
What is the SMILES notation for 5-[(6-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-2-cyclopentyl-2-[2-(2-ethyl-4-pyridinyl)ethyl]-4-hydroxy-3H-pyran-6-one?
The canonical SMILES for 5-[(6-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-2-cyclopentyl-2-[2-(2-ethyl-4-pyridinyl)ethyl]-4-hydroxy-3H-pyran-6-one is CCc1cc(CCC2(C3CCCC3)CC(O)=C(Cc3nc4ncc(Cl)cn4n3)C(=O)O2)ccn1.
What is the InChIKey of 5-[(6-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-2-cyclopentyl-2-[2-(2-ethyl-4-pyridinyl)ethyl]-4-hydroxy-3H-pyran-6-one?
The InChIKey is LSVVRTCYQRPZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28ClN5O3/c1-2-19-11-16(8-10-27-19)7-9-25(17-5-3-4-6-17)13-21(32)20(23(33)34-25)12-22-29-24-28-14-18(26)15-31(24)30-22/h8,10-11,14-15,17,32H,2-7,9,12-13H2,1H3.
What are the key properties of 5-[(6-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-2-cyclopentyl-2-[2-(2-ethyl-4-pyridinyl)ethyl]-4-hydroxy-3H-pyran-6-one?
5-[(6-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-2-cyclopentyl-2-[2-(2-ethyl-4-pyridinyl)ethyl]-4-hydroxy-3H-pyran-6-one has a molecular weight of 481.98 g/mol, XLogP of 4.60, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-2-cyclopentyl-2-[2-(2-ethyl-4-pyridinyl)ethyl]-4-hydroxy-3H-pyran-6-one is sourced from PubChem (CID 58762211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).