(2R)-2-cyclopentyl-2-[2-(2,6-diethyl-4-pyridinyl)ethyl]-4-hydroxy-5-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-3H-pyran-6-one

C30H39N5O3 — CID 71241720

IUPAC(2R)-2-cyclopentyl-2-[2-(2,6-diethyl-4-pyridinyl)ethyl]-4-hydroxy-5-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-3H-pyran-6-one
SMILESCCc1cc(CC[C@]2(C3CCCC3)CC(O)=C(Cc3nc4nc(C)c(C)c(C)n4n3)C(=O)O2)cc(CC)n1
InChIInChI=1S/C30H39N5O3/c1-6-23-14-21(15-24(7-2)32-23)12-13-30(22-10-8-9-11-22)17-26(36)25(28(37)38-30)16-27-33-29-31-19(4)18(3)20(5)35(29)34-27/h14-15,22,36H,6-13,16-17H2,1-5H3/t30-/m1/s1
InChIKeyMIFNFCBCPZIDHA-SSEXGKCCSA-N
MW517.67 g/mol
LogP5.43
Rot. Bonds8

About (2R)-2-cyclopentyl-2-[2-(2,6-diethyl-4-pyridinyl)ethyl]-4-hydroxy-5-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-3H-pyran-6-one

(2R)-2-cyclopentyl-2-[2-(2,6-diethyl-4-pyridinyl)ethyl]-4-hydroxy-5-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-3H-pyran-6-one (PubChem CID 71241720) has the molecular formula C30H39N5O3 and a molecular weight of 517.67 g/mol. Its IUPAC name is (2R)-2-cyclopentyl-2-[2-(2,6-diethyl-4-pyridinyl)ethyl]-4-hydroxy-5-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-3H-pyran-6-one.

Molecular Properties

Compound Name(2R)-2-cyclopentyl-2-[2-(2,6-diethyl-4-pyridinyl)ethyl]-4-hydroxy-5-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-3H-pyran-6-one
PubChem CID71241720
Molecular FormulaC30H39N5O3
Molecular Weight517.67 g/mol
Exact Mass517.31
IUPAC Name(2R)-2-cyclopentyl-2-[2-(2,6-diethyl-4-pyridinyl)ethyl]-4-hydroxy-5-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-3H-pyran-6-one
SMILESCCc1cc(CC[C@]2(C3CCCC3)CC(O)=C(Cc3nc4nc(C)c(C)c(C)n4n3)C(=O)O2)cc(CC)n1
InChIInChI=1S/C30H39N5O3/c1-6-23-14-21(15-24(7-2)32-23)12-13-30(22-10-8-9-11-22)17-26(36)25(28(37)38-30)16-27-33-29-31-19(4)18(3)20(5)35(29)34-27/h14-15,22,36H,6-13,16-17H2,1-5H3/t30-/m1/s1
InChIKeyMIFNFCBCPZIDHA-SSEXGKCCSA-N
XLogP5.43
TPSA102.50 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.67
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (2R)-2-cyclopentyl-2-[2-(2,6-diethyl-4-pyridinyl)ethyl]-4-hydroxy-5-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-3H-pyran-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-2-cyclopentyl-2-[2-(2,6-diethyl-4-pyridinyl)ethyl]-4-hydroxy-5-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-3H-pyran-6-one?
The IUPAC name of (2R)-2-cyclopentyl-2-[2-(2,6-diethyl-4-pyridinyl)ethyl]-4-hydroxy-5-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-3H-pyran-6-one (CID 71241720) is (2R)-2-cyclopentyl-2-[2-(2,6-diethyl-4-pyridinyl)ethyl]-4-hydroxy-5-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-3H-pyran-6-one.
What is the SMILES notation for (2R)-2-cyclopentyl-2-[2-(2,6-diethyl-4-pyridinyl)ethyl]-4-hydroxy-5-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-3H-pyran-6-one?
The canonical SMILES for (2R)-2-cyclopentyl-2-[2-(2,6-diethyl-4-pyridinyl)ethyl]-4-hydroxy-5-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-3H-pyran-6-one is CCc1cc(CC[C@]2(C3CCCC3)CC(O)=C(Cc3nc4nc(C)c(C)c(C)n4n3)C(=O)O2)cc(CC)n1.
What is the InChIKey of (2R)-2-cyclopentyl-2-[2-(2,6-diethyl-4-pyridinyl)ethyl]-4-hydroxy-5-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-3H-pyran-6-one?
The InChIKey is MIFNFCBCPZIDHA-SSEXGKCCSA-N. The full InChI is InChI=1S/C30H39N5O3/c1-6-23-14-21(15-24(7-2)32-23)12-13-30(22-10-8-9-11-22)17-26(36)25(28(37)38-30)16-27-33-29-31-19(4)18(3)20(5)35(29)34-27/h14-15,22,36H,6-13,16-17H2,1-5H3/t30-/m1/s1.
What are the key properties of (2R)-2-cyclopentyl-2-[2-(2,6-diethyl-4-pyridinyl)ethyl]-4-hydroxy-5-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-3H-pyran-6-one?
(2R)-2-cyclopentyl-2-[2-(2,6-diethyl-4-pyridinyl)ethyl]-4-hydroxy-5-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-3H-pyran-6-one has a molecular weight of 517.67 g/mol, XLogP of 5.43, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-cyclopentyl-2-[2-(2,6-diethyl-4-pyridinyl)ethyl]-4-hydroxy-5-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-3H-pyran-6-one is sourced from PubChem (CID 71241720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).