(S)-phenyl-[(1S,3R)-3-(2H-pyridin-2-id-5-ylmethyl)cyclopentyl]methanol;propane;tungsten;vanadium

C21H27NOVW-2 — CID 161267110

IUPAC(S)-phenyl-[(1S,3R)-3-(2H-pyridin-2-id-5-ylmethyl)cyclopentyl]methanol;propane;tungsten;vanadium
SMILESO[C@H](c1ccccc1)[C@H]1CC[C@@H](Cc2cc[c-]nc2)C1.[CH2-]CC.[V].[W]
InChIInChI=1S/C18H20NO.C3H7.V.W/c20-18(16-6-2-1-3-7-16)17-9-8-14(12-17)11-15-5-4-10-19-13-15;1-3-2;;/h1-7,13-14,17-18,20H,8-9,11-12H2;1,3H2,2H3;;/q2*-1;;/t14-,17-,18+;;;/m0.../s1
InChIKeyYWWSTKUZKGIUAQ-STQSLKNASA-N
MW544.24 g/mol
LogP4.80
Rot. Bonds4

About (S)-phenyl-[(1S,3R)-3-(2H-pyridin-2-id-5-ylmethyl)cyclopentyl]methanol;propane;tungsten;vanadium

(S)-phenyl-[(1S,3R)-3-(2H-pyridin-2-id-5-ylmethyl)cyclopentyl]methanol;propane;tungsten;vanadium (PubChem CID 161267110) has the molecular formula C21H27NOVW-2 and a molecular weight of 544.24 g/mol. Its IUPAC name is (S)-phenyl-[(1S,3R)-3-(2H-pyridin-2-id-5-ylmethyl)cyclopentyl]methanol;propane;tungsten;vanadium.

Molecular Properties

Compound Name(S)-phenyl-[(1S,3R)-3-(2H-pyridin-2-id-5-ylmethyl)cyclopentyl]methanol;propane;tungsten;vanadium
PubChem CID161267110
Molecular FormulaC21H27NOVW-2
Molecular Weight544.24 g/mol
Exact Mass544.11
IUPAC Name(S)-phenyl-[(1S,3R)-3-(2H-pyridin-2-id-5-ylmethyl)cyclopentyl]methanol;propane;tungsten;vanadium
SMILESO[C@H](c1ccccc1)[C@H]1CC[C@@H](Cc2cc[c-]nc2)C1.[CH2-]CC.[V].[W]
InChIInChI=1S/C18H20NO.C3H7.V.W/c20-18(16-6-2-1-3-7-16)17-9-8-14(12-17)11-15-5-4-10-19-13-15;1-3-2;;/h1-7,13-14,17-18,20H,8-9,11-12H2;1,3H2,2H3;;/q2*-1;;/t14-,17-,18+;;;/m0.../s1
InChIKeyYWWSTKUZKGIUAQ-STQSLKNASA-N
XLogP4.80
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500544.24
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze (S)-phenyl-[(1S,3R)-3-(2H-pyridin-2-id-5-ylmethyl)cyclopentyl]methanol;propane;tungsten;vanadium with MolForge

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Related Compounds

ethane;[3-[[4-(methanidylamino)phenyl]methyl]cyclopentyl]-pyridin-3-ylmethanol;yttrium
CID 58125203
N-[4-[[(1R,3S)-3-[(S)-hydroxy(phenyl)methyl]cyclopentyl]methyl]phenyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 58126616
(S)-[(1S)-3-[(4-iodophenyl)methyl]cyclopentyl]-pyridin-3-ylmethanol
CID 158186388
(2S)-N-[4-[[(1R,3S)-3-[(S)-hydroxy(phenyl)methyl]cyclopentyl]methyl]phenyl]-2-(3-methylpyrazol-1-yl)propanamide
CID 158555061
(3,4-dimethylcyclohexyl)-phenylmethanol
CID 64740008
(S)-[(1S)-3-[(4-aminophenyl)methyl]cyclopentyl]-phenylmethanol;(R)-[(2R)-5-[(4-aminophenyl)methyl]-3,4-dihydro-2H-pyrrol-2-yl]-phenylmethanol;trimethyl(trimethylsilylmethyl)silane;hydrate
CID 159522214
[5-[[(3S)-3-[(S)-hydroxy(phenyl)methyl]cyclopentyl]methyl]-2-pyridinyl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
CID 162137663
(R)-phenyl-[1-(2-phenylethyl)piperidin-4-yl]methanol
CID 6604770
(6S)-N-[4-[[(1R,3S)-3-[(S)-hydroxy(phenyl)methyl]cyclopentyl]methyl]phenyl]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide;methane
CID 159663576
(2-chlorophenyl)-(3-ethylcyclopentyl)methanol
CID 65411144
(3-ethylcyclopentyl)-(4-methoxyphenyl)methanol
CID 65409565
4-[[(1R,3S)-3-[(S)-hydroxy(phenyl)methyl]cyclopentyl]methyl]-N-methyl-N-[(1R)-2-methyl-1-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)propyl]benzamide
CID 158713396

Frequently Asked Questions

What is the IUPAC name of (S)-phenyl-[(1S,3R)-3-(2H-pyridin-2-id-5-ylmethyl)cyclopentyl]methanol;propane;tungsten;vanadium?
The IUPAC name of (S)-phenyl-[(1S,3R)-3-(2H-pyridin-2-id-5-ylmethyl)cyclopentyl]methanol;propane;tungsten;vanadium (CID 161267110) is (S)-phenyl-[(1S,3R)-3-(2H-pyridin-2-id-5-ylmethyl)cyclopentyl]methanol;propane;tungsten;vanadium.
What is the SMILES notation for (S)-phenyl-[(1S,3R)-3-(2H-pyridin-2-id-5-ylmethyl)cyclopentyl]methanol;propane;tungsten;vanadium?
The canonical SMILES for (S)-phenyl-[(1S,3R)-3-(2H-pyridin-2-id-5-ylmethyl)cyclopentyl]methanol;propane;tungsten;vanadium is O[C@H](c1ccccc1)[C@H]1CC[C@@H](Cc2cc[c-]nc2)C1.[CH2-]CC.[V].[W].
What is the InChIKey of (S)-phenyl-[(1S,3R)-3-(2H-pyridin-2-id-5-ylmethyl)cyclopentyl]methanol;propane;tungsten;vanadium?
The InChIKey is YWWSTKUZKGIUAQ-STQSLKNASA-N. The full InChI is InChI=1S/C18H20NO.C3H7.V.W/c20-18(16-6-2-1-3-7-16)17-9-8-14(12-17)11-15-5-4-10-19-13-15;1-3-2;;/h1-7,13-14,17-18,20H,8-9,11-12H2;1,3H2,2H3;;/q2*-1;;/t14-,17-,18+;;;/m0.../s1.
What are the key properties of (S)-phenyl-[(1S,3R)-3-(2H-pyridin-2-id-5-ylmethyl)cyclopentyl]methanol;propane;tungsten;vanadium?
(S)-phenyl-[(1S,3R)-3-(2H-pyridin-2-id-5-ylmethyl)cyclopentyl]methanol;propane;tungsten;vanadium has a molecular weight of 544.24 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-phenyl-[(1S,3R)-3-(2H-pyridin-2-id-5-ylmethyl)cyclopentyl]methanol;propane;tungsten;vanadium is sourced from PubChem (CID 161267110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).