6-[(3R)-5-(4-cyano-3-methoxyphenyl)-3-cyclopentyl-3,4-dihydropyrazol-2-yl]-2-methylpyridine-3-carbonitrile

C23H23N5O — CID 58064708

IUPAC6-[(3R)-5-(4-cyano-3-methoxyphenyl)-3-cyclopentyl-3,4-dihydropyrazol-2-yl]-2-methylpyridine-3-carbonitrile
SMILESCOc1cc(C2=NN(c3ccc(C#N)c(C)n3)[C@@H](C3CCCC3)C2)ccc1C#N
InChIInChI=1S/C23H23N5O/c1-15-18(13-24)9-10-23(26-15)28-21(16-5-3-4-6-16)12-20(27-28)17-7-8-19(14-25)22(11-17)29-2/h7-11,16,21H,3-6,12H2,1-2H3/t21-/m1/s1
InChIKeyHTEFAXFLKLJQLK-OAQYLSRUSA-N
MW385.47 g/mol
LogP4.32
Rot. Bonds4

About 6-[(3R)-5-(4-cyano-3-methoxyphenyl)-3-cyclopentyl-3,4-dihydropyrazol-2-yl]-2-methylpyridine-3-carbonitrile

6-[(3R)-5-(4-cyano-3-methoxyphenyl)-3-cyclopentyl-3,4-dihydropyrazol-2-yl]-2-methylpyridine-3-carbonitrile (PubChem CID 58064708) has the molecular formula C23H23N5O and a molecular weight of 385.47 g/mol. Its IUPAC name is 6-[(3R)-5-(4-cyano-3-methoxyphenyl)-3-cyclopentyl-3,4-dihydropyrazol-2-yl]-2-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[(3R)-5-(4-cyano-3-methoxyphenyl)-3-cyclopentyl-3,4-dihydropyrazol-2-yl]-2-methylpyridine-3-carbonitrile
PubChem CID58064708
Molecular FormulaC23H23N5O
Molecular Weight385.47 g/mol
Exact Mass385.19
IUPAC Name6-[(3R)-5-(4-cyano-3-methoxyphenyl)-3-cyclopentyl-3,4-dihydropyrazol-2-yl]-2-methylpyridine-3-carbonitrile
SMILESCOc1cc(C2=NN(c3ccc(C#N)c(C)n3)[C@@H](C3CCCC3)C2)ccc1C#N
InChIInChI=1S/C23H23N5O/c1-15-18(13-24)9-10-23(26-15)28-21(16-5-3-4-6-16)12-20(27-28)17-7-8-19(14-25)22(11-17)29-2/h7-11,16,21H,3-6,12H2,1-2H3/t21-/m1/s1
InChIKeyHTEFAXFLKLJQLK-OAQYLSRUSA-N
XLogP4.32
TPSA85.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(3R)-5-(4-cyano-3-methoxyphenyl)-3-cyclopentyl-3,4-dihydropyrazol-2-yl]-2-methylpyridine-3-carbonitrile?
The IUPAC name of 6-[(3R)-5-(4-cyano-3-methoxyphenyl)-3-cyclopentyl-3,4-dihydropyrazol-2-yl]-2-methylpyridine-3-carbonitrile (CID 58064708) is 6-[(3R)-5-(4-cyano-3-methoxyphenyl)-3-cyclopentyl-3,4-dihydropyrazol-2-yl]-2-methylpyridine-3-carbonitrile.
What is the SMILES notation for 6-[(3R)-5-(4-cyano-3-methoxyphenyl)-3-cyclopentyl-3,4-dihydropyrazol-2-yl]-2-methylpyridine-3-carbonitrile?
The canonical SMILES for 6-[(3R)-5-(4-cyano-3-methoxyphenyl)-3-cyclopentyl-3,4-dihydropyrazol-2-yl]-2-methylpyridine-3-carbonitrile is COc1cc(C2=NN(c3ccc(C#N)c(C)n3)[C@@H](C3CCCC3)C2)ccc1C#N.
What is the InChIKey of 6-[(3R)-5-(4-cyano-3-methoxyphenyl)-3-cyclopentyl-3,4-dihydropyrazol-2-yl]-2-methylpyridine-3-carbonitrile?
The InChIKey is HTEFAXFLKLJQLK-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H23N5O/c1-15-18(13-24)9-10-23(26-15)28-21(16-5-3-4-6-16)12-20(27-28)17-7-8-19(14-25)22(11-17)29-2/h7-11,16,21H,3-6,12H2,1-2H3/t21-/m1/s1.
What are the key properties of 6-[(3R)-5-(4-cyano-3-methoxyphenyl)-3-cyclopentyl-3,4-dihydropyrazol-2-yl]-2-methylpyridine-3-carbonitrile?
6-[(3R)-5-(4-cyano-3-methoxyphenyl)-3-cyclopentyl-3,4-dihydropyrazol-2-yl]-2-methylpyridine-3-carbonitrile has a molecular weight of 385.47 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3R)-5-(4-cyano-3-methoxyphenyl)-3-cyclopentyl-3,4-dihydropyrazol-2-yl]-2-methylpyridine-3-carbonitrile is sourced from PubChem (CID 58064708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).