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

C20H21N5O3 — CID 90656362

IUPAC6-[(3R)-2-(5-cyano-6-methyl-2-pyridinyl)-3-propan-2-yl-3,4-dihydropyrazol-5-yl]-2-methoxypyridine-3-carboxylic acid
SMILESCOc1nc(C2=NN(c3ccc(C#N)c(C)n3)[C@@H](C(C)C)C2)ccc1C(=O)O
InChIInChI=1S/C20H21N5O3/c1-11(2)17-9-16(15-7-6-14(20(26)27)19(23-15)28-4)24-25(17)18-8-5-13(10-21)12(3)22-18/h5-8,11,17H,9H2,1-4H3,(H,26,27)/t17-/m1/s1
InChIKeySTIUBRUMWDMBIN-QGZVFWFLSA-N
MW379.42 g/mol
LogP3.00
Rot. Bonds5

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

6-[(3R)-2-(5-cyano-6-methyl-2-pyridinyl)-3-propan-2-yl-3,4-dihydropyrazol-5-yl]-2-methoxypyridine-3-carboxylic acid (PubChem CID 90656362) has the molecular formula C20H21N5O3 and a molecular weight of 379.42 g/mol. Its IUPAC name is 6-[(3R)-2-(5-cyano-6-methyl-2-pyridinyl)-3-propan-2-yl-3,4-dihydropyrazol-5-yl]-2-methoxypyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[(3R)-2-(5-cyano-6-methyl-2-pyridinyl)-3-propan-2-yl-3,4-dihydropyrazol-5-yl]-2-methoxypyridine-3-carboxylic acid
PubChem CID90656362
Molecular FormulaC20H21N5O3
Molecular Weight379.42 g/mol
Exact Mass379.16
IUPAC Name6-[(3R)-2-(5-cyano-6-methyl-2-pyridinyl)-3-propan-2-yl-3,4-dihydropyrazol-5-yl]-2-methoxypyridine-3-carboxylic acid
SMILESCOc1nc(C2=NN(c3ccc(C#N)c(C)n3)[C@@H](C(C)C)C2)ccc1C(=O)O
InChIInChI=1S/C20H21N5O3/c1-11(2)17-9-16(15-7-6-14(20(26)27)19(23-15)28-4)24-25(17)18-8-5-13(10-21)12(3)22-18/h5-8,11,17H,9H2,1-4H3,(H,26,27)/t17-/m1/s1
InChIKeySTIUBRUMWDMBIN-QGZVFWFLSA-N
XLogP3.00
TPSA111.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[(3R)-2-(5-cyano-6-methyl-2-pyridinyl)-3-propan-2-yl-3,4-dihydropyrazol-5-yl]-2-methoxypyridine-3-carboxylic acid 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 6-[(3R)-2-(5-cyano-6-methyl-2-pyridinyl)-3-propan-2-yl-3,4-dihydropyrazol-5-yl]-2-methoxypyridine-3-carboxylic acid?
The IUPAC name of 6-[(3R)-2-(5-cyano-6-methyl-2-pyridinyl)-3-propan-2-yl-3,4-dihydropyrazol-5-yl]-2-methoxypyridine-3-carboxylic acid (CID 90656362) is 6-[(3R)-2-(5-cyano-6-methyl-2-pyridinyl)-3-propan-2-yl-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-propan-2-yl-3,4-dihydropyrazol-5-yl]-2-methoxypyridine-3-carboxylic acid?
The canonical SMILES for 6-[(3R)-2-(5-cyano-6-methyl-2-pyridinyl)-3-propan-2-yl-3,4-dihydropyrazol-5-yl]-2-methoxypyridine-3-carboxylic acid is COc1nc(C2=NN(c3ccc(C#N)c(C)n3)[C@@H](C(C)C)C2)ccc1C(=O)O.
What is the InChIKey of 6-[(3R)-2-(5-cyano-6-methyl-2-pyridinyl)-3-propan-2-yl-3,4-dihydropyrazol-5-yl]-2-methoxypyridine-3-carboxylic acid?
The InChIKey is STIUBRUMWDMBIN-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H21N5O3/c1-11(2)17-9-16(15-7-6-14(20(26)27)19(23-15)28-4)24-25(17)18-8-5-13(10-21)12(3)22-18/h5-8,11,17H,9H2,1-4H3,(H,26,27)/t17-/m1/s1.
What are the key properties of 6-[(3R)-2-(5-cyano-6-methyl-2-pyridinyl)-3-propan-2-yl-3,4-dihydropyrazol-5-yl]-2-methoxypyridine-3-carboxylic acid?
6-[(3R)-2-(5-cyano-6-methyl-2-pyridinyl)-3-propan-2-yl-3,4-dihydropyrazol-5-yl]-2-methoxypyridine-3-carboxylic acid has a molecular weight of 379.42 g/mol, XLogP of 3.00, 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-propan-2-yl-3,4-dihydropyrazol-5-yl]-2-methoxypyridine-3-carboxylic acid is sourced from PubChem (CID 90656362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).