1-[[4-[(3S)-3-pyrazin-2-yl-1,2-oxazolidine-2-carbonyl]cyclohexyl]methyl]indazole-6-carbonitrile

C23H24N6O2 — CID 172582139

IUPAC1-[[4-[(3S)-3-pyrazin-2-yl-1,2-oxazolidine-2-carbonyl]cyclohexyl]methyl]indazole-6-carbonitrile
SMILESN#Cc1ccc2cnn(CC3CCC(C(=O)N4OCC[C@H]4c4cnccn4)CC3)c2c1
InChIInChI=1S/C23H24N6O2/c24-12-17-3-6-19-13-27-28(22(19)11-17)15-16-1-4-18(5-2-16)23(30)29-21(7-10-31-29)20-14-25-8-9-26-20/h3,6,8-9,11,13-14,16,18,21H,1-2,4-5,7,10,15H2/t16?,18?,21-/m0/s1
InChIKeyGNHCIBLHMQEXPQ-IAYYMHMVSA-N
MW416.49 g/mol
LogP3.41
Rot. Bonds4

About 1-[[4-[(3S)-3-pyrazin-2-yl-1,2-oxazolidine-2-carbonyl]cyclohexyl]methyl]indazole-6-carbonitrile

1-[[4-[(3S)-3-pyrazin-2-yl-1,2-oxazolidine-2-carbonyl]cyclohexyl]methyl]indazole-6-carbonitrile (PubChem CID 172582139) has the molecular formula C23H24N6O2 and a molecular weight of 416.49 g/mol. Its IUPAC name is 1-[[4-[(3S)-3-pyrazin-2-yl-1,2-oxazolidine-2-carbonyl]cyclohexyl]methyl]indazole-6-carbonitrile.

Molecular Properties

Compound Name1-[[4-[(3S)-3-pyrazin-2-yl-1,2-oxazolidine-2-carbonyl]cyclohexyl]methyl]indazole-6-carbonitrile
PubChem CID172582139
Molecular FormulaC23H24N6O2
Molecular Weight416.49 g/mol
Exact Mass416.20
IUPAC Name1-[[4-[(3S)-3-pyrazin-2-yl-1,2-oxazolidine-2-carbonyl]cyclohexyl]methyl]indazole-6-carbonitrile
SMILESN#Cc1ccc2cnn(CC3CCC(C(=O)N4OCC[C@H]4c4cnccn4)CC3)c2c1
InChIInChI=1S/C23H24N6O2/c24-12-17-3-6-19-13-27-28(22(19)11-17)15-16-1-4-18(5-2-16)23(30)29-21(7-10-31-29)20-14-25-8-9-26-20/h3,6,8-9,11,13-14,16,18,21H,1-2,4-5,7,10,15H2/t16?,18?,21-/m0/s1
InChIKeyGNHCIBLHMQEXPQ-IAYYMHMVSA-N
XLogP3.41
TPSA96.93 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[[4-[(3S)-3-(3-cyano-5-fluorophenyl)-1,2-oxazolidine-2-carbonyl]cyclohexyl]methyl]-6-fluoroindazole-5-carbonitrile
CID 172581754
[4-[(3S)-3-pyrazin-2-yl-1,2-oxazolidine-2-carbonyl]cyclohexyl]methyl 4-nitrobenzenesulfonate
CID 172582771
2-fluoro-5-[[4-[(3S)-3-pyrazin-2-yl-1,2-oxazolidine-2-carbonyl]cyclohexyl]methyl]benzamide
CID 172581735
[4-[(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methyl]cyclohexyl]-[(3S)-3-pyrazin-2-yl-1,2-oxazolidin-2-yl]methanone
CID 172581612
5-[(3S)-2-[4-(hydroxymethyl)cyclohexanecarbonyl]-1,2-oxazolidin-3-yl]pyridine-3-carbonitrile
CID 172582773
5-[(3S)-2-[4-[(6-fluoropyrrolo[3,2-b]pyridin-1-yl)methyl]cyclohexanecarbonyl]-1,2-oxazolidin-3-yl]pyridine-3-carbonitrile
CID 172581548
3-fluoro-5-[(3S)-2-[4-[(5-fluoroindazol-2-yl)methyl]cyclohexanecarbonyl]-1,2-oxazolidin-3-yl]benzonitrile
CID 172581829
5-[(3S)-2-(piperidine-4-carbonyl)-1,2-oxazolidin-3-yl]pyridine-3-carbonitrile
CID 162376340
3-fluoro-5-[(3S)-2-[4-[(3-methylindazol-2-yl)methyl]cyclohexanecarbonyl]-1,2-oxazolidin-3-yl]benzonitrile
CID 172581608
3-fluoro-5-[(3S)-2-[4-[(5-methoxypyrrolo[3,2-b]pyridin-1-yl)methyl]cyclohexanecarbonyl]-1,2-oxazolidin-3-yl]benzonitrile
CID 172582101
1-[[4-[(3S)-3-(3-cyano-5-fluorophenyl)-1,2-oxazolidine-2-carbonyl]cyclohexyl]methyl]-4-fluoro-3-methylindazole-6-carboxamide
CID 172581928
5-[(3S)-2-[1-(4-formylpyrimidin-2-yl)piperidine-4-carbonyl]-1,2-oxazolidin-3-yl]pyridine-3-carbonitrile
CID 170001085

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[(3S)-3-pyrazin-2-yl-1,2-oxazolidine-2-carbonyl]cyclohexyl]methyl]indazole-6-carbonitrile?
The IUPAC name of 1-[[4-[(3S)-3-pyrazin-2-yl-1,2-oxazolidine-2-carbonyl]cyclohexyl]methyl]indazole-6-carbonitrile (CID 172582139) is 1-[[4-[(3S)-3-pyrazin-2-yl-1,2-oxazolidine-2-carbonyl]cyclohexyl]methyl]indazole-6-carbonitrile.
What is the SMILES notation for 1-[[4-[(3S)-3-pyrazin-2-yl-1,2-oxazolidine-2-carbonyl]cyclohexyl]methyl]indazole-6-carbonitrile?
The canonical SMILES for 1-[[4-[(3S)-3-pyrazin-2-yl-1,2-oxazolidine-2-carbonyl]cyclohexyl]methyl]indazole-6-carbonitrile is N#Cc1ccc2cnn(CC3CCC(C(=O)N4OCC[C@H]4c4cnccn4)CC3)c2c1.
What is the InChIKey of 1-[[4-[(3S)-3-pyrazin-2-yl-1,2-oxazolidine-2-carbonyl]cyclohexyl]methyl]indazole-6-carbonitrile?
The InChIKey is GNHCIBLHMQEXPQ-IAYYMHMVSA-N. The full InChI is InChI=1S/C23H24N6O2/c24-12-17-3-6-19-13-27-28(22(19)11-17)15-16-1-4-18(5-2-16)23(30)29-21(7-10-31-29)20-14-25-8-9-26-20/h3,6,8-9,11,13-14,16,18,21H,1-2,4-5,7,10,15H2/t16?,18?,21-/m0/s1.
What are the key properties of 1-[[4-[(3S)-3-pyrazin-2-yl-1,2-oxazolidine-2-carbonyl]cyclohexyl]methyl]indazole-6-carbonitrile?
1-[[4-[(3S)-3-pyrazin-2-yl-1,2-oxazolidine-2-carbonyl]cyclohexyl]methyl]indazole-6-carbonitrile has a molecular weight of 416.49 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[(3S)-3-pyrazin-2-yl-1,2-oxazolidine-2-carbonyl]cyclohexyl]methyl]indazole-6-carbonitrile is sourced from PubChem (CID 172582139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).