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

C22H23N5O3 — CID 46938236

IUPAC6-[(3R)-2-(5-cyano-6-methyl-2-pyridinyl)-3-cyclopentyl-3,4-dihydropyrazol-5-yl]-2-methoxypyridine-3-carboxylic acid
SMILESCOc1nc(C2=NN(c3ccc(C#N)c(C)n3)[C@@H](C3CCCC3)C2)ccc1C(=O)O
InChIInChI=1S/C22H23N5O3/c1-13-15(12-23)7-10-20(24-13)27-19(14-5-3-4-6-14)11-18(26-27)17-9-8-16(22(28)29)21(25-17)30-2/h7-10,14,19H,3-6,11H2,1-2H3,(H,28,29)/t19-/m1/s1
InChIKeyOQPWNIVCEUVXQA-LJQANCHMSA-N
MW405.46 g/mol
LogP3.54
Rot. Bonds5

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

6-[(3R)-2-(5-cyano-6-methyl-2-pyridinyl)-3-cyclopentyl-3,4-dihydropyrazol-5-yl]-2-methoxypyridine-3-carboxylic acid (PubChem CID 46938236) has the molecular formula C22H23N5O3 and a molecular weight of 405.46 g/mol. Its IUPAC name is 6-[(3R)-2-(5-cyano-6-methyl-2-pyridinyl)-3-cyclopentyl-3,4-dihydropyrazol-5-yl]-2-methoxypyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[(3R)-2-(5-cyano-6-methyl-2-pyridinyl)-3-cyclopentyl-3,4-dihydropyrazol-5-yl]-2-methoxypyridine-3-carboxylic acid
PubChem CID46938236
Molecular FormulaC22H23N5O3
Molecular Weight405.46 g/mol
Exact Mass405.18
IUPAC Name6-[(3R)-2-(5-cyano-6-methyl-2-pyridinyl)-3-cyclopentyl-3,4-dihydropyrazol-5-yl]-2-methoxypyridine-3-carboxylic acid
SMILESCOc1nc(C2=NN(c3ccc(C#N)c(C)n3)[C@@H](C3CCCC3)C2)ccc1C(=O)O
InChIInChI=1S/C22H23N5O3/c1-13-15(12-23)7-10-20(24-13)27-19(14-5-3-4-6-14)11-18(26-27)17-9-8-16(22(28)29)21(25-17)30-2/h7-10,14,19H,3-6,11H2,1-2H3,(H,28,29)/t19-/m1/s1
InChIKeyOQPWNIVCEUVXQA-LJQANCHMSA-N
XLogP3.54
TPSA111.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[(3R)-2-(5-cyano-6-methyl-2-pyridinyl)-3-cyclopentyl-3,4-dihydropyrazol-5-yl]-2-methoxypyridine-3-carboxylic acid?
The IUPAC name of 6-[(3R)-2-(5-cyano-6-methyl-2-pyridinyl)-3-cyclopentyl-3,4-dihydropyrazol-5-yl]-2-methoxypyridine-3-carboxylic acid (CID 46938236) is 6-[(3R)-2-(5-cyano-6-methyl-2-pyridinyl)-3-cyclopentyl-3,4-dihydropyrazol-5-yl]-2-methoxypyridine-3-carboxylic acid.
What is the SMILES notation for 6-[(3R)-2-(5-cyano-6-methyl-2-pyridinyl)-3-cyclopentyl-3,4-dihydropyrazol-5-yl]-2-methoxypyridine-3-carboxylic acid?
The canonical SMILES for 6-[(3R)-2-(5-cyano-6-methyl-2-pyridinyl)-3-cyclopentyl-3,4-dihydropyrazol-5-yl]-2-methoxypyridine-3-carboxylic acid is COc1nc(C2=NN(c3ccc(C#N)c(C)n3)[C@@H](C3CCCC3)C2)ccc1C(=O)O.
What is the InChIKey of 6-[(3R)-2-(5-cyano-6-methyl-2-pyridinyl)-3-cyclopentyl-3,4-dihydropyrazol-5-yl]-2-methoxypyridine-3-carboxylic acid?
The InChIKey is OQPWNIVCEUVXQA-LJQANCHMSA-N. The full InChI is InChI=1S/C22H23N5O3/c1-13-15(12-23)7-10-20(24-13)27-19(14-5-3-4-6-14)11-18(26-27)17-9-8-16(22(28)29)21(25-17)30-2/h7-10,14,19H,3-6,11H2,1-2H3,(H,28,29)/t19-/m1/s1.
What are the key properties of 6-[(3R)-2-(5-cyano-6-methyl-2-pyridinyl)-3-cyclopentyl-3,4-dihydropyrazol-5-yl]-2-methoxypyridine-3-carboxylic acid?
6-[(3R)-2-(5-cyano-6-methyl-2-pyridinyl)-3-cyclopentyl-3,4-dihydropyrazol-5-yl]-2-methoxypyridine-3-carboxylic acid has a molecular weight of 405.46 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3R)-2-(5-cyano-6-methyl-2-pyridinyl)-3-cyclopentyl-3,4-dihydropyrazol-5-yl]-2-methoxypyridine-3-carboxylic acid is sourced from PubChem (CID 46938236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).