4-[(3R)-2-(5-cyano-6-methyl-2-pyridinyl)-3-cyclopentyl-3,4-dihydropyrazol-5-yl]-2-ethoxybenzamide

C24H27N5O2 — CID 58064707

IUPAC4-[(3R)-2-(5-cyano-6-methyl-2-pyridinyl)-3-cyclopentyl-3,4-dihydropyrazol-5-yl]-2-ethoxybenzamide
SMILESCCOc1cc(C2=NN(c3ccc(C#N)c(C)n3)[C@@H](C3CCCC3)C2)ccc1C(N)=O
InChIInChI=1S/C24H27N5O2/c1-3-31-22-12-17(8-10-19(22)24(26)30)20-13-21(16-6-4-5-7-16)29(28-20)23-11-9-18(14-25)15(2)27-23/h8-12,16,21H,3-7,13H2,1-2H3,(H2,26,30)/t21-/m1/s1
InChIKeyWHQJGIUHPUIPJN-OAQYLSRUSA-N
MW417.51 g/mol
LogP3.93
Rot. Bonds6

About 4-[(3R)-2-(5-cyano-6-methyl-2-pyridinyl)-3-cyclopentyl-3,4-dihydropyrazol-5-yl]-2-ethoxybenzamide

4-[(3R)-2-(5-cyano-6-methyl-2-pyridinyl)-3-cyclopentyl-3,4-dihydropyrazol-5-yl]-2-ethoxybenzamide (PubChem CID 58064707) has the molecular formula C24H27N5O2 and a molecular weight of 417.51 g/mol. Its IUPAC name is 4-[(3R)-2-(5-cyano-6-methyl-2-pyridinyl)-3-cyclopentyl-3,4-dihydropyrazol-5-yl]-2-ethoxybenzamide.

Molecular Properties

Compound Name4-[(3R)-2-(5-cyano-6-methyl-2-pyridinyl)-3-cyclopentyl-3,4-dihydropyrazol-5-yl]-2-ethoxybenzamide
PubChem CID58064707
Molecular FormulaC24H27N5O2
Molecular Weight417.51 g/mol
Exact Mass417.22
IUPAC Name4-[(3R)-2-(5-cyano-6-methyl-2-pyridinyl)-3-cyclopentyl-3,4-dihydropyrazol-5-yl]-2-ethoxybenzamide
SMILESCCOc1cc(C2=NN(c3ccc(C#N)c(C)n3)[C@@H](C3CCCC3)C2)ccc1C(N)=O
InChIInChI=1S/C24H27N5O2/c1-3-31-22-12-17(8-10-19(22)24(26)30)20-13-21(16-6-4-5-7-16)29(28-20)23-11-9-18(14-25)15(2)27-23/h8-12,16,21H,3-7,13H2,1-2H3,(H2,26,30)/t21-/m1/s1
InChIKeyWHQJGIUHPUIPJN-OAQYLSRUSA-N
XLogP3.93
TPSA104.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-2-(5-cyano-6-methyl-2-pyridinyl)-3-cyclopentyl-3,4-dihydropyrazol-5-yl]-2-ethoxybenzamide?
The IUPAC name of 4-[(3R)-2-(5-cyano-6-methyl-2-pyridinyl)-3-cyclopentyl-3,4-dihydropyrazol-5-yl]-2-ethoxybenzamide (CID 58064707) is 4-[(3R)-2-(5-cyano-6-methyl-2-pyridinyl)-3-cyclopentyl-3,4-dihydropyrazol-5-yl]-2-ethoxybenzamide.
What is the SMILES notation for 4-[(3R)-2-(5-cyano-6-methyl-2-pyridinyl)-3-cyclopentyl-3,4-dihydropyrazol-5-yl]-2-ethoxybenzamide?
The canonical SMILES for 4-[(3R)-2-(5-cyano-6-methyl-2-pyridinyl)-3-cyclopentyl-3,4-dihydropyrazol-5-yl]-2-ethoxybenzamide is CCOc1cc(C2=NN(c3ccc(C#N)c(C)n3)[C@@H](C3CCCC3)C2)ccc1C(N)=O.
What is the InChIKey of 4-[(3R)-2-(5-cyano-6-methyl-2-pyridinyl)-3-cyclopentyl-3,4-dihydropyrazol-5-yl]-2-ethoxybenzamide?
The InChIKey is WHQJGIUHPUIPJN-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H27N5O2/c1-3-31-22-12-17(8-10-19(22)24(26)30)20-13-21(16-6-4-5-7-16)29(28-20)23-11-9-18(14-25)15(2)27-23/h8-12,16,21H,3-7,13H2,1-2H3,(H2,26,30)/t21-/m1/s1.
What are the key properties of 4-[(3R)-2-(5-cyano-6-methyl-2-pyridinyl)-3-cyclopentyl-3,4-dihydropyrazol-5-yl]-2-ethoxybenzamide?
4-[(3R)-2-(5-cyano-6-methyl-2-pyridinyl)-3-cyclopentyl-3,4-dihydropyrazol-5-yl]-2-ethoxybenzamide has a molecular weight of 417.51 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-2-(5-cyano-6-methyl-2-pyridinyl)-3-cyclopentyl-3,4-dihydropyrazol-5-yl]-2-ethoxybenzamide is sourced from PubChem (CID 58064707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).