1-[4-(4-tert-butylsulfanyl-3-pyridinyl)phenyl]cyclopropan-1-ol;3-[4-(4-tert-butylsulfanyl-3-pyridinyl)phenyl]oxetan-3-ol;1-[4-[4-[(1-ethylcyclopropyl)methylsulfanyl]-3-pyridinyl]phenyl]cyclopropan-1-ol;4-[4-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]benzonitrile;4-(4-propyl-3-pyridinyl)naphthalene-1-carbonitrile

C91H97N7O5S3 — CID 159602428

IUPAC1-[4-(4-tert-butylsulfanyl-3-pyridinyl)phenyl]cyclopropan-1-ol;3-[4-(4-tert-butylsulfanyl-3-pyridinyl)phenyl]oxetan-3-ol;1-[4-[4-[(1-ethylcyclopropyl)methylsulfanyl]-3-pyridinyl]phenyl]cyclopropan-1-ol;4-[4-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]benzonitrile;4-(4-propyl-3-pyridinyl)naphthalene-1-carbonitrile
SMILESCC(C)(C)Oc1ccncc1-c1ccc(C#N)cc1.CC(C)(C)Sc1ccncc1-c1ccc(C2(O)CC2)cc1.CC(C)(C)Sc1ccncc1-c1ccc(C2(O)COC2)cc1.CCC1(CSc2ccncc2-c2ccc(C3(O)CC3)cc2)CC1.CCCc1ccncc1-c1ccc(C#N)c2ccccc12
InChIInChI=1S/C20H23NOS.C19H16N2.C18H21NO2S.C18H21NOS.C16H16N2O/c1-2-19(8-9-19)14-23-18-7-12-21-13-17(18)15-3-5-16(6-4-15)20(22)10-11-20;1-2-5-14-10-11-21-13-19(14)18-9-8-15(12-20)16-6-3-4-7-17(16)18;1-17(2,3)22-16-8-9-19-10-15(16)13-4-6-14(7-5-13)18(20)11-21-12-18;1-17(2,3)21-16-8-11-19-12-15(16)13-4-6-14(7-5-13)18(20)9-10-18;1-16(2,3)19-15-8-9-18-11-14(15)13-6-4-12(10-17)5-7-13/h3-7,12-13,22H,2,8-11,14H2,1H3;3-4,6-11,13H,2,5H2,1H3;4-10,20H,11-12H2,1-3H3;4-8,11-12,20H,9-10H2,1-3H3;4-9,11H,1-3H3
InChIKeyMLQPRNQOHKNSJE-UHFFFAOYSA-N
MW1465.02 g/mol
LogP22.01
Rot. Bonds17

About 1-[4-(4-tert-butylsulfanyl-3-pyridinyl)phenyl]cyclopropan-1-ol;3-[4-(4-tert-butylsulfanyl-3-pyridinyl)phenyl]oxetan-3-ol;1-[4-[4-[(1-ethylcyclopropyl)methylsulfanyl]-3-pyridinyl]phenyl]cyclopropan-1-ol;4-[4-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]benzonitrile;4-(4-propyl-3-pyridinyl)naphthalene-1-carbonitrile

1-[4-(4-tert-butylsulfanyl-3-pyridinyl)phenyl]cyclopropan-1-ol;3-[4-(4-tert-butylsulfanyl-3-pyridinyl)phenyl]oxetan-3-ol;1-[4-[4-[(1-ethylcyclopropyl)methylsulfanyl]-3-pyridinyl]phenyl]cyclopropan-1-ol;4-[4-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]benzonitrile;4-(4-propyl-3-pyridinyl)naphthalene-1-carbonitrile (PubChem CID 159602428) has the molecular formula C91H97N7O5S3 and a molecular weight of 1465.02 g/mol. Its IUPAC name is 1-[4-(4-tert-butylsulfanyl-3-pyridinyl)phenyl]cyclopropan-1-ol;3-[4-(4-tert-butylsulfanyl-3-pyridinyl)phenyl]oxetan-3-ol;1-[4-[4-[(1-ethylcyclopropyl)methylsulfanyl]-3-pyridinyl]phenyl]cyclopropan-1-ol;4-[4-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]benzonitrile;4-(4-propyl-3-pyridinyl)naphthalene-1-carbonitrile.

Molecular Properties

Compound Name1-[4-(4-tert-butylsulfanyl-3-pyridinyl)phenyl]cyclopropan-1-ol;3-[4-(4-tert-butylsulfanyl-3-pyridinyl)phenyl]oxetan-3-ol;1-[4-[4-[(1-ethylcyclopropyl)methylsulfanyl]-3-pyridinyl]phenyl]cyclopropan-1-ol;4-[4-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]benzonitrile;4-(4-propyl-3-pyridinyl)naphthalene-1-carbonitrile
PubChem CID159602428
Molecular FormulaC91H97N7O5S3
Molecular Weight1465.02 g/mol
Exact Mass1463.67
IUPAC Name1-[4-(4-tert-butylsulfanyl-3-pyridinyl)phenyl]cyclopropan-1-ol;3-[4-(4-tert-butylsulfanyl-3-pyridinyl)phenyl]oxetan-3-ol;1-[4-[4-[(1-ethylcyclopropyl)methylsulfanyl]-3-pyridinyl]phenyl]cyclopropan-1-ol;4-[4-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]benzonitrile;4-(4-propyl-3-pyridinyl)naphthalene-1-carbonitrile
SMILESCC(C)(C)Oc1ccncc1-c1ccc(C#N)cc1.CC(C)(C)Sc1ccncc1-c1ccc(C2(O)CC2)cc1.CC(C)(C)Sc1ccncc1-c1ccc(C2(O)COC2)cc1.CCC1(CSc2ccncc2-c2ccc(C3(O)CC3)cc2)CC1.CCCc1ccncc1-c1ccc(C#N)c2ccccc12
InChIInChI=1S/C20H23NOS.C19H16N2.C18H21NO2S.C18H21NOS.C16H16N2O/c1-2-19(8-9-19)14-23-18-7-12-21-13-17(18)15-3-5-16(6-4-15)20(22)10-11-20;1-2-5-14-10-11-21-13-19(14)18-9-8-15(12-20)16-6-3-4-7-17(16)18;1-17(2,3)22-16-8-9-19-10-15(16)13-4-6-14(7-5-13)18(20)11-21-12-18;1-17(2,3)21-16-8-11-19-12-15(16)13-4-6-14(7-5-13)18(20)9-10-18;1-16(2,3)19-15-8-9-18-11-14(15)13-6-4-12(10-17)5-7-13/h3-7,12-13,22H,2,8-11,14H2,1H3;3-4,6-11,13H,2,5H2,1H3;4-10,20H,11-12H2,1-3H3;4-8,11-12,20H,9-10H2,1-3H3;4-9,11H,1-3H3
InChIKeyMLQPRNQOHKNSJE-UHFFFAOYSA-N
XLogP22.01
TPSA191.18 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds17
Heavy Atoms106
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001465.02
LogP ≤ 522.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Analyze 1-[4-(4-tert-butylsulfanyl-3-pyridinyl)phenyl]cyclopropan-1-ol;3-[4-(4-tert-butylsulfanyl-3-pyridinyl)phenyl]oxetan-3-ol;1-[4-[4-[(1-ethylcyclopropyl)methylsulfanyl]-3-pyridinyl]phenyl]cyclopropan-1-ol;4-[4-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]benzonitrile;4-(4-propyl-3-pyridinyl)naphthalene-1-carbonitrile with MolForge

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Launch Full Analysis

Related Compounds

3-[4-[4-[(1-ethylcyclopropyl)methylsulfanyl]-3-pyridinyl]phenyl]oxetan-3-ol
CID 130328157
4-[5-fluoro-2-[[1-(2-oxopropyl)cyclopropyl]methylsulfanyl]phenyl]benzonitrile;methane;4-[4-(2-methylpentan-2-ylsulfanyl)-3-pyridinyl]naphthalene-1-carbonitrile;4-[4-[[1-(2-oxopropyl)cyclopropyl]methylsulfanyl]-3-pyridinyl]benzonitrile
CID 158879437
ethane;2-[[3-[4-(3-hydroxyoxetan-3-yl)phenyl]-4-pyridinyl]sulfanyl]-2-methylpropanoic acid
CID 145016859
3-[[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]sulfanyl]propanoic acid
CID 118902130
2-[[3-[4-(1-hydroxycyclopropyl)phenyl]-4-pyridinyl]sulfanyl]-2-methylpropanoic acid
CID 118902140
2-[1-[[2-(4-cyanophenyl)phenyl]sulfanylmethyl]cyclopropyl]acetic acid
CID 118902133
4-[4-[[1-(2-oxopropyl)cyclopropyl]methoxy]-3-pyridinyl]benzonitrile
CID 130328155
[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]sulfanylmethyl cyclobutanecarboxylate
CID 152709778
3-tert-butylsulfanyl-4-propylpyridine
CID 121007768
5-(4-tert-butylsulfanyl-3-pyridinyl)indolizine-2,8-dicarbonitrile
CID 166958634
methyl 3-[4-(4-cyanonaphthalen-1-yl)isoquinolin-6-yl]-2,2-dimethylpropanoate
CID 122582211
2-[[3-(4-cyanonaphthalen-1-yl)oxy-4-pyridinyl]sulfanyl]-2-methylpropanoate
CID 172675950

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-tert-butylsulfanyl-3-pyridinyl)phenyl]cyclopropan-1-ol;3-[4-(4-tert-butylsulfanyl-3-pyridinyl)phenyl]oxetan-3-ol;1-[4-[4-[(1-ethylcyclopropyl)methylsulfanyl]-3-pyridinyl]phenyl]cyclopropan-1-ol;4-[4-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]benzonitrile;4-(4-propyl-3-pyridinyl)naphthalene-1-carbonitrile?
The IUPAC name of 1-[4-(4-tert-butylsulfanyl-3-pyridinyl)phenyl]cyclopropan-1-ol;3-[4-(4-tert-butylsulfanyl-3-pyridinyl)phenyl]oxetan-3-ol;1-[4-[4-[(1-ethylcyclopropyl)methylsulfanyl]-3-pyridinyl]phenyl]cyclopropan-1-ol;4-[4-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]benzonitrile;4-(4-propyl-3-pyridinyl)naphthalene-1-carbonitrile (CID 159602428) is 1-[4-(4-tert-butylsulfanyl-3-pyridinyl)phenyl]cyclopropan-1-ol;3-[4-(4-tert-butylsulfanyl-3-pyridinyl)phenyl]oxetan-3-ol;1-[4-[4-[(1-ethylcyclopropyl)methylsulfanyl]-3-pyridinyl]phenyl]cyclopropan-1-ol;4-[4-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]benzonitrile;4-(4-propyl-3-pyridinyl)naphthalene-1-carbonitrile.
What is the SMILES notation for 1-[4-(4-tert-butylsulfanyl-3-pyridinyl)phenyl]cyclopropan-1-ol;3-[4-(4-tert-butylsulfanyl-3-pyridinyl)phenyl]oxetan-3-ol;1-[4-[4-[(1-ethylcyclopropyl)methylsulfanyl]-3-pyridinyl]phenyl]cyclopropan-1-ol;4-[4-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]benzonitrile;4-(4-propyl-3-pyridinyl)naphthalene-1-carbonitrile?
The canonical SMILES for 1-[4-(4-tert-butylsulfanyl-3-pyridinyl)phenyl]cyclopropan-1-ol;3-[4-(4-tert-butylsulfanyl-3-pyridinyl)phenyl]oxetan-3-ol;1-[4-[4-[(1-ethylcyclopropyl)methylsulfanyl]-3-pyridinyl]phenyl]cyclopropan-1-ol;4-[4-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]benzonitrile;4-(4-propyl-3-pyridinyl)naphthalene-1-carbonitrile is CC(C)(C)Oc1ccncc1-c1ccc(C#N)cc1.CC(C)(C)Sc1ccncc1-c1ccc(C2(O)CC2)cc1.CC(C)(C)Sc1ccncc1-c1ccc(C2(O)COC2)cc1.CCC1(CSc2ccncc2-c2ccc(C3(O)CC3)cc2)CC1.CCCc1ccncc1-c1ccc(C#N)c2ccccc12.
What is the InChIKey of 1-[4-(4-tert-butylsulfanyl-3-pyridinyl)phenyl]cyclopropan-1-ol;3-[4-(4-tert-butylsulfanyl-3-pyridinyl)phenyl]oxetan-3-ol;1-[4-[4-[(1-ethylcyclopropyl)methylsulfanyl]-3-pyridinyl]phenyl]cyclopropan-1-ol;4-[4-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]benzonitrile;4-(4-propyl-3-pyridinyl)naphthalene-1-carbonitrile?
The InChIKey is MLQPRNQOHKNSJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NOS.C19H16N2.C18H21NO2S.C18H21NOS.C16H16N2O/c1-2-19(8-9-19)14-23-18-7-12-21-13-17(18)15-3-5-16(6-4-15)20(22)10-11-20;1-2-5-14-10-11-21-13-19(14)18-9-8-15(12-20)16-6-3-4-7-17(16)18;1-17(2,3)22-16-8-9-19-10-15(16)13-4-6-14(7-5-13)18(20)11-21-12-18;1-17(2,3)21-16-8-11-19-12-15(16)13-4-6-14(7-5-13)18(20)9-10-18;1-16(2,3)19-15-8-9-18-11-14(15)13-6-4-12(10-17)5-7-13/h3-7,12-13,22H,2,8-11,14H2,1H3;3-4,6-11,13H,2,5H2,1H3;4-10,20H,11-12H2,1-3H3;4-8,11-12,20H,9-10H2,1-3H3;4-9,11H,1-3H3.
What are the key properties of 1-[4-(4-tert-butylsulfanyl-3-pyridinyl)phenyl]cyclopropan-1-ol;3-[4-(4-tert-butylsulfanyl-3-pyridinyl)phenyl]oxetan-3-ol;1-[4-[4-[(1-ethylcyclopropyl)methylsulfanyl]-3-pyridinyl]phenyl]cyclopropan-1-ol;4-[4-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]benzonitrile;4-(4-propyl-3-pyridinyl)naphthalene-1-carbonitrile?
1-[4-(4-tert-butylsulfanyl-3-pyridinyl)phenyl]cyclopropan-1-ol;3-[4-(4-tert-butylsulfanyl-3-pyridinyl)phenyl]oxetan-3-ol;1-[4-[4-[(1-ethylcyclopropyl)methylsulfanyl]-3-pyridinyl]phenyl]cyclopropan-1-ol;4-[4-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]benzonitrile;4-(4-propyl-3-pyridinyl)naphthalene-1-carbonitrile has a molecular weight of 1465.02 g/mol, XLogP of 22.01, 17 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-tert-butylsulfanyl-3-pyridinyl)phenyl]cyclopropan-1-ol;3-[4-(4-tert-butylsulfanyl-3-pyridinyl)phenyl]oxetan-3-ol;1-[4-[4-[(1-ethylcyclopropyl)methylsulfanyl]-3-pyridinyl]phenyl]cyclopropan-1-ol;4-[4-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]benzonitrile;4-(4-propyl-3-pyridinyl)naphthalene-1-carbonitrile is sourced from PubChem (CID 159602428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).