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

C23H25N5O3 — CID 58064723

IUPACmethyl 6-[(3R)-2-(5-cyano-6-methyl-2-pyridinyl)-3-cyclopentyl-3,4-dihydropyrazol-5-yl]-2-methoxypyridine-3-carboxylate
SMILESCOC(=O)c1ccc(C2=NN(c3ccc(C#N)c(C)n3)[C@@H](C3CCCC3)C2)nc1OC
InChIInChI=1S/C23H25N5O3/c1-14-16(13-24)8-11-21(25-14)28-20(15-6-4-5-7-15)12-19(27-28)18-10-9-17(23(29)31-3)22(26-18)30-2/h8-11,15,20H,4-7,12H2,1-3H3/t20-/m1/s1
InChIKeyIKOCZKFTJZXUCO-HXUWFJFHSA-N
MW419.49 g/mol
LogP3.63
Rot. Bonds5

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

methyl 6-[(3R)-2-(5-cyano-6-methyl-2-pyridinyl)-3-cyclopentyl-3,4-dihydropyrazol-5-yl]-2-methoxypyridine-3-carboxylate (PubChem CID 58064723) has the molecular formula C23H25N5O3 and a molecular weight of 419.49 g/mol. Its IUPAC name is methyl 6-[(3R)-2-(5-cyano-6-methyl-2-pyridinyl)-3-cyclopentyl-3,4-dihydropyrazol-5-yl]-2-methoxypyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(3R)-2-(5-cyano-6-methyl-2-pyridinyl)-3-cyclopentyl-3,4-dihydropyrazol-5-yl]-2-methoxypyridine-3-carboxylate
PubChem CID58064723
Molecular FormulaC23H25N5O3
Molecular Weight419.49 g/mol
Exact Mass419.20
IUPAC Namemethyl 6-[(3R)-2-(5-cyano-6-methyl-2-pyridinyl)-3-cyclopentyl-3,4-dihydropyrazol-5-yl]-2-methoxypyridine-3-carboxylate
SMILESCOC(=O)c1ccc(C2=NN(c3ccc(C#N)c(C)n3)[C@@H](C3CCCC3)C2)nc1OC
InChIInChI=1S/C23H25N5O3/c1-14-16(13-24)8-11-21(25-14)28-20(15-6-4-5-7-15)12-19(27-28)18-10-9-17(23(29)31-3)22(26-18)30-2/h8-11,15,20H,4-7,12H2,1-3H3/t20-/m1/s1
InChIKeyIKOCZKFTJZXUCO-HXUWFJFHSA-N
XLogP3.63
TPSA100.70 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl 6-[(3R)-2-(5-cyano-6-methyl-2-pyridinyl)-3-cyclopentyl-3,4-dihydropyrazol-5-yl]-2-methoxypyridine-3-carboxylate?
The IUPAC name of methyl 6-[(3R)-2-(5-cyano-6-methyl-2-pyridinyl)-3-cyclopentyl-3,4-dihydropyrazol-5-yl]-2-methoxypyridine-3-carboxylate (CID 58064723) is methyl 6-[(3R)-2-(5-cyano-6-methyl-2-pyridinyl)-3-cyclopentyl-3,4-dihydropyrazol-5-yl]-2-methoxypyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[(3R)-2-(5-cyano-6-methyl-2-pyridinyl)-3-cyclopentyl-3,4-dihydropyrazol-5-yl]-2-methoxypyridine-3-carboxylate?
The canonical SMILES for methyl 6-[(3R)-2-(5-cyano-6-methyl-2-pyridinyl)-3-cyclopentyl-3,4-dihydropyrazol-5-yl]-2-methoxypyridine-3-carboxylate is COC(=O)c1ccc(C2=NN(c3ccc(C#N)c(C)n3)[C@@H](C3CCCC3)C2)nc1OC.
What is the InChIKey of methyl 6-[(3R)-2-(5-cyano-6-methyl-2-pyridinyl)-3-cyclopentyl-3,4-dihydropyrazol-5-yl]-2-methoxypyridine-3-carboxylate?
The InChIKey is IKOCZKFTJZXUCO-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H25N5O3/c1-14-16(13-24)8-11-21(25-14)28-20(15-6-4-5-7-15)12-19(27-28)18-10-9-17(23(29)31-3)22(26-18)30-2/h8-11,15,20H,4-7,12H2,1-3H3/t20-/m1/s1.
What are the key properties of methyl 6-[(3R)-2-(5-cyano-6-methyl-2-pyridinyl)-3-cyclopentyl-3,4-dihydropyrazol-5-yl]-2-methoxypyridine-3-carboxylate?
methyl 6-[(3R)-2-(5-cyano-6-methyl-2-pyridinyl)-3-cyclopentyl-3,4-dihydropyrazol-5-yl]-2-methoxypyridine-3-carboxylate has a molecular weight of 419.49 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(3R)-2-(5-cyano-6-methyl-2-pyridinyl)-3-cyclopentyl-3,4-dihydropyrazol-5-yl]-2-methoxypyridine-3-carboxylate is sourced from PubChem (CID 58064723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).