5-[1-[[(1S,3S)-3-fluorocyclopentyl]methyl]pyrazol-4-yl]-6-(3-methoxycinnolin-7-yl)pyridine-2-carbonitrile

C24H21FN6O — CID 137374007

IUPAC5-[1-[[(1S,3S)-3-fluorocyclopentyl]methyl]pyrazol-4-yl]-6-(3-methoxycinnolin-7-yl)pyridine-2-carbonitrile
SMILESCOc1cc2ccc(-c3nc(C#N)ccc3-c3cnn(C[C@H]4CC[C@H](F)C4)c3)cc2nn1
InChIInChI=1S/C24H21FN6O/c1-32-23-10-16-3-4-17(9-22(16)29-30-23)24-21(7-6-20(11-26)28-24)18-12-27-31(14-18)13-15-2-5-19(25)8-15/h3-4,6-7,9-10,12,14-15,19H,2,5,8,13H2,1H3/t15-,19-/m0/s1
InChIKeyWXLPKJDZAWNYPS-KXBFYZLASA-N
MW428.47 g/mol
LogP4.57
Rot. Bonds5

About 5-[1-[[(1S,3S)-3-fluorocyclopentyl]methyl]pyrazol-4-yl]-6-(3-methoxycinnolin-7-yl)pyridine-2-carbonitrile

5-[1-[[(1S,3S)-3-fluorocyclopentyl]methyl]pyrazol-4-yl]-6-(3-methoxycinnolin-7-yl)pyridine-2-carbonitrile (PubChem CID 137374007) has the molecular formula C24H21FN6O and a molecular weight of 428.47 g/mol. Its IUPAC name is 5-[1-[[(1S,3S)-3-fluorocyclopentyl]methyl]pyrazol-4-yl]-6-(3-methoxycinnolin-7-yl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[1-[[(1S,3S)-3-fluorocyclopentyl]methyl]pyrazol-4-yl]-6-(3-methoxycinnolin-7-yl)pyridine-2-carbonitrile
PubChem CID137374007
Molecular FormulaC24H21FN6O
Molecular Weight428.47 g/mol
Exact Mass428.18
IUPAC Name5-[1-[[(1S,3S)-3-fluorocyclopentyl]methyl]pyrazol-4-yl]-6-(3-methoxycinnolin-7-yl)pyridine-2-carbonitrile
SMILESCOc1cc2ccc(-c3nc(C#N)ccc3-c3cnn(C[C@H]4CC[C@H](F)C4)c3)cc2nn1
InChIInChI=1S/C24H21FN6O/c1-32-23-10-16-3-4-17(9-22(16)29-30-23)24-21(7-6-20(11-26)28-24)18-12-27-31(14-18)13-15-2-5-19(25)8-15/h3-4,6-7,9-10,12,14-15,19H,2,5,8,13H2,1H3/t15-,19-/m0/s1
InChIKeyWXLPKJDZAWNYPS-KXBFYZLASA-N
XLogP4.57
TPSA89.51 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.47
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[[(1S,3S)-3-fluorocyclopentyl]methyl]pyrazol-4-yl]-6-(3-methoxycinnolin-7-yl)pyridine-2-carbonitrile?
The IUPAC name of 5-[1-[[(1S,3S)-3-fluorocyclopentyl]methyl]pyrazol-4-yl]-6-(3-methoxycinnolin-7-yl)pyridine-2-carbonitrile (CID 137374007) is 5-[1-[[(1S,3S)-3-fluorocyclopentyl]methyl]pyrazol-4-yl]-6-(3-methoxycinnolin-7-yl)pyridine-2-carbonitrile.
What is the SMILES notation for 5-[1-[[(1S,3S)-3-fluorocyclopentyl]methyl]pyrazol-4-yl]-6-(3-methoxycinnolin-7-yl)pyridine-2-carbonitrile?
The canonical SMILES for 5-[1-[[(1S,3S)-3-fluorocyclopentyl]methyl]pyrazol-4-yl]-6-(3-methoxycinnolin-7-yl)pyridine-2-carbonitrile is COc1cc2ccc(-c3nc(C#N)ccc3-c3cnn(C[C@H]4CC[C@H](F)C4)c3)cc2nn1.
What is the InChIKey of 5-[1-[[(1S,3S)-3-fluorocyclopentyl]methyl]pyrazol-4-yl]-6-(3-methoxycinnolin-7-yl)pyridine-2-carbonitrile?
The InChIKey is WXLPKJDZAWNYPS-KXBFYZLASA-N. The full InChI is InChI=1S/C24H21FN6O/c1-32-23-10-16-3-4-17(9-22(16)29-30-23)24-21(7-6-20(11-26)28-24)18-12-27-31(14-18)13-15-2-5-19(25)8-15/h3-4,6-7,9-10,12,14-15,19H,2,5,8,13H2,1H3/t15-,19-/m0/s1.
What are the key properties of 5-[1-[[(1S,3S)-3-fluorocyclopentyl]methyl]pyrazol-4-yl]-6-(3-methoxycinnolin-7-yl)pyridine-2-carbonitrile?
5-[1-[[(1S,3S)-3-fluorocyclopentyl]methyl]pyrazol-4-yl]-6-(3-methoxycinnolin-7-yl)pyridine-2-carbonitrile has a molecular weight of 428.47 g/mol, XLogP of 4.57, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[[(1S,3S)-3-fluorocyclopentyl]methyl]pyrazol-4-yl]-6-(3-methoxycinnolin-7-yl)pyridine-2-carbonitrile is sourced from PubChem (CID 137374007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).