(3S,4S)-4-[4-[4-(1H-indazol-3-yl)triazol-1-yl]phenyl]piperidin-3-ol

C20H20N6O — CID 129386052

IUPAC(3S,4S)-4-[4-[4-(1H-indazol-3-yl)triazol-1-yl]phenyl]piperidin-3-ol
SMILESO[C@@H]1CNCC[C@H]1c1ccc(-n2cc(-c3n[nH]c4ccccc34)nn2)cc1
InChIInChI=1S/C20H20N6O/c27-19-11-21-10-9-15(19)13-5-7-14(8-6-13)26-12-18(23-25-26)20-16-3-1-2-4-17(16)22-24-20/h1-8,12,15,19,21,27H,9-11H2,(H,22,24)/t15-,19+/m0/s1
InChIKeyCSPOTVLAMCAZQQ-HNAYVOBHSA-N
MW360.42 g/mol
LogP2.25
Rot. Bonds3

About (3S,4S)-4-[4-[4-(1H-indazol-3-yl)triazol-1-yl]phenyl]piperidin-3-ol

(3S,4S)-4-[4-[4-(1H-indazol-3-yl)triazol-1-yl]phenyl]piperidin-3-ol (PubChem CID 129386052) has the molecular formula C20H20N6O and a molecular weight of 360.42 g/mol. Its IUPAC name is (3S,4S)-4-[4-[4-(1H-indazol-3-yl)triazol-1-yl]phenyl]piperidin-3-ol.

Molecular Properties

Compound Name(3S,4S)-4-[4-[4-(1H-indazol-3-yl)triazol-1-yl]phenyl]piperidin-3-ol
PubChem CID129386052
Molecular FormulaC20H20N6O
Molecular Weight360.42 g/mol
Exact Mass360.17
IUPAC Name(3S,4S)-4-[4-[4-(1H-indazol-3-yl)triazol-1-yl]phenyl]piperidin-3-ol
SMILESO[C@@H]1CNCC[C@H]1c1ccc(-n2cc(-c3n[nH]c4ccccc34)nn2)cc1
InChIInChI=1S/C20H20N6O/c27-19-11-21-10-9-15(19)13-5-7-14(8-6-13)26-12-18(23-25-26)20-16-3-1-2-4-17(16)22-24-20/h1-8,12,15,19,21,27H,9-11H2,(H,22,24)/t15-,19+/m0/s1
InChIKeyCSPOTVLAMCAZQQ-HNAYVOBHSA-N
XLogP2.25
TPSA91.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (3S,4S)-4-[4-[4-(1H-indazol-3-yl)triazol-1-yl]phenyl]piperidin-3-ol with MolForge

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Related Compounds

Cdk8-IN-4
CID 75202254
3-(2-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1H-indol-6-yl)-1-cyclopentylprop-2-yn-1-ol
CID 136188804
(2R)-2-[[6-(1H-indol-7-yl)-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]amino]-2-phenylethanol
CID 137634742
N-[2-[5-[[(1R)-2-hydroxy-1-phenylethyl]amino]-3-(3-methyl-2H-indazol-5-yl)-2-pyridinyl]phenyl]acetamide
CID 137636669
(2R)-2-[[6-(2-fluorophenyl)-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]amino]-2-phenylethanol
CID 137638529
(2R)-2-[[5-(3-methyl-2H-indazol-5-yl)-6-phenyl-3-pyridinyl]amino]-2-phenylethanol
CID 137641746
(2R)-2-[[6-[2-(hydroxymethyl)phenyl]-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]amino]-2-phenylethanol
CID 137645188
Cdk9-IN-12
CID 162640599
2-[[6-(3-methyl-2H-indazol-5-yl)pyrazin-2-yl]amino]-2-phenylethanol
CID 164609699
(2R)-2-[[6-(3-methyl-2H-indazol-5-yl)pyrazin-2-yl]amino]-2-phenylethanol
CID 164611914
(2R)-2-[[6-(1H-indazol-5-yl)pyrazin-2-yl]amino]-2-phenylethanol
CID 164621641
(2R)-2-[[6-chloro-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]amino]-2-(4-fluorophenyl)ethanol
CID 164623711

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-[4-[4-(1H-indazol-3-yl)triazol-1-yl]phenyl]piperidin-3-ol?
The IUPAC name of (3S,4S)-4-[4-[4-(1H-indazol-3-yl)triazol-1-yl]phenyl]piperidin-3-ol (CID 129386052) is (3S,4S)-4-[4-[4-(1H-indazol-3-yl)triazol-1-yl]phenyl]piperidin-3-ol.
What is the SMILES notation for (3S,4S)-4-[4-[4-(1H-indazol-3-yl)triazol-1-yl]phenyl]piperidin-3-ol?
The canonical SMILES for (3S,4S)-4-[4-[4-(1H-indazol-3-yl)triazol-1-yl]phenyl]piperidin-3-ol is O[C@@H]1CNCC[C@H]1c1ccc(-n2cc(-c3n[nH]c4ccccc34)nn2)cc1.
What is the InChIKey of (3S,4S)-4-[4-[4-(1H-indazol-3-yl)triazol-1-yl]phenyl]piperidin-3-ol?
The InChIKey is CSPOTVLAMCAZQQ-HNAYVOBHSA-N. The full InChI is InChI=1S/C20H20N6O/c27-19-11-21-10-9-15(19)13-5-7-14(8-6-13)26-12-18(23-25-26)20-16-3-1-2-4-17(16)22-24-20/h1-8,12,15,19,21,27H,9-11H2,(H,22,24)/t15-,19+/m0/s1.
What are the key properties of (3S,4S)-4-[4-[4-(1H-indazol-3-yl)triazol-1-yl]phenyl]piperidin-3-ol?
(3S,4S)-4-[4-[4-(1H-indazol-3-yl)triazol-1-yl]phenyl]piperidin-3-ol has a molecular weight of 360.42 g/mol, XLogP of 2.25, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-[4-[4-(1H-indazol-3-yl)triazol-1-yl]phenyl]piperidin-3-ol is sourced from PubChem (CID 129386052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).