(1R,2R,4S)-2-amino-4-[5-(1H-indol-3-yl)-2-(2-methylpyrazol-3-yl)-1,2,4-triazol-3-yl]cyclohexan-1-ol

C20H23N7O — CID 155504121

IUPAC(1R,2R,4S)-2-amino-4-[5-(1H-indol-3-yl)-2-(2-methylpyrazol-3-yl)-1,2,4-triazol-3-yl]cyclohexan-1-ol
SMILESCn1nccc1-n1nc(-c2c[nH]c3ccccc23)nc1[C@H]1CC[C@@H](O)[C@H](N)C1
InChIInChI=1S/C20H23N7O/c1-26-18(8-9-23-26)27-20(12-6-7-17(28)15(21)10-12)24-19(25-27)14-11-22-16-5-3-2-4-13(14)16/h2-5,8-9,11-12,15,17,22,28H,6-7,10,21H2,1H3/t12-,15+,17+/m0/s1
InChIKeyVHMWIYAHMGEOOJ-XGWLTEMNSA-N
MW377.45 g/mol
LogP2.10
Rot. Bonds3

About (1R,2R,4S)-2-amino-4-[5-(1H-indol-3-yl)-2-(2-methylpyrazol-3-yl)-1,2,4-triazol-3-yl]cyclohexan-1-ol

(1R,2R,4S)-2-amino-4-[5-(1H-indol-3-yl)-2-(2-methylpyrazol-3-yl)-1,2,4-triazol-3-yl]cyclohexan-1-ol (PubChem CID 155504121) has the molecular formula C20H23N7O and a molecular weight of 377.45 g/mol. Its IUPAC name is (1R,2R,4S)-2-amino-4-[5-(1H-indol-3-yl)-2-(2-methylpyrazol-3-yl)-1,2,4-triazol-3-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name(1R,2R,4S)-2-amino-4-[5-(1H-indol-3-yl)-2-(2-methylpyrazol-3-yl)-1,2,4-triazol-3-yl]cyclohexan-1-ol
PubChem CID155504121
Molecular FormulaC20H23N7O
Molecular Weight377.45 g/mol
Exact Mass377.20
IUPAC Name(1R,2R,4S)-2-amino-4-[5-(1H-indol-3-yl)-2-(2-methylpyrazol-3-yl)-1,2,4-triazol-3-yl]cyclohexan-1-ol
SMILESCn1nccc1-n1nc(-c2c[nH]c3ccccc23)nc1[C@H]1CC[C@@H](O)[C@H](N)C1
InChIInChI=1S/C20H23N7O/c1-26-18(8-9-23-26)27-20(12-6-7-17(28)15(21)10-12)24-19(25-27)14-11-22-16-5-3-2-4-13(14)16/h2-5,8-9,11-12,15,17,22,28H,6-7,10,21H2,1H3/t12-,15+,17+/m0/s1
InChIKeyVHMWIYAHMGEOOJ-XGWLTEMNSA-N
XLogP2.10
TPSA110.57 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (1R,2R,4S)-2-amino-4-[5-(1H-indol-3-yl)-2-(2-methylpyrazol-3-yl)-1,2,4-triazol-3-yl]cyclohexan-1-ol with MolForge

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Launch Full Analysis

Related Compounds

3-(5-cyclobutyl-1-methyl-1,2,4-triazol-3-yl)-1H-indole
CID 137108562
acetic acid;2-[5-[(1S,3R,4R)-3-amino-4-propoxycyclohexyl]-3-(1H-indol-3-yl)-1,2,4-triazol-1-yl]ethanol
CID 155937919
2-[3-(1H-indol-3-yl)-5-(1-methylazepan-2-yl)-1,2,4-triazol-1-yl]ethanol
CID 137214471
3-[1-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]-1H-indole;hydrochloride
CID 163988747
2-(1H-indol-3-yl)-[1,2,4]triazolo[1,5-a]pyridine
CID 175946267
3-(5-cyclopropyl-2-methylpyrimidin-4-yl)-1H-indole
CID 144611466
6-(1H-indol-3-yl)-1,3,5-triazine-2,4-diamine
CID 14358165
3-(1-methylpyrazol-4-yl)-1H-indole
CID 118064780
(3S)-N-[2-[5-(1H-indol-3-yl)-2-methyl-1,2,4-triazol-3-yl]ethyl]-N-methyl-1,1-dioxothiolan-3-amine
CID 136696875
N-cyclopentyl-3-(1H-indol-3-yl)-1,2,4-oxadiazole-5-carboxamide
CID 135636045
(1R,2R,4S)-2-amino-4-[2-(1H-benzimidazol-2-yl)-5-methyl-1,2,4-triazol-3-yl]cyclopentan-1-ol;hydrochloride
CID 155939196
2-(1H-indol-3-yl)-7-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 135637531

Frequently Asked Questions

What is the IUPAC name of (1R,2R,4S)-2-amino-4-[5-(1H-indol-3-yl)-2-(2-methylpyrazol-3-yl)-1,2,4-triazol-3-yl]cyclohexan-1-ol?
The IUPAC name of (1R,2R,4S)-2-amino-4-[5-(1H-indol-3-yl)-2-(2-methylpyrazol-3-yl)-1,2,4-triazol-3-yl]cyclohexan-1-ol (CID 155504121) is (1R,2R,4S)-2-amino-4-[5-(1H-indol-3-yl)-2-(2-methylpyrazol-3-yl)-1,2,4-triazol-3-yl]cyclohexan-1-ol.
What is the SMILES notation for (1R,2R,4S)-2-amino-4-[5-(1H-indol-3-yl)-2-(2-methylpyrazol-3-yl)-1,2,4-triazol-3-yl]cyclohexan-1-ol?
The canonical SMILES for (1R,2R,4S)-2-amino-4-[5-(1H-indol-3-yl)-2-(2-methylpyrazol-3-yl)-1,2,4-triazol-3-yl]cyclohexan-1-ol is Cn1nccc1-n1nc(-c2c[nH]c3ccccc23)nc1[C@H]1CC[C@@H](O)[C@H](N)C1.
What is the InChIKey of (1R,2R,4S)-2-amino-4-[5-(1H-indol-3-yl)-2-(2-methylpyrazol-3-yl)-1,2,4-triazol-3-yl]cyclohexan-1-ol?
The InChIKey is VHMWIYAHMGEOOJ-XGWLTEMNSA-N. The full InChI is InChI=1S/C20H23N7O/c1-26-18(8-9-23-26)27-20(12-6-7-17(28)15(21)10-12)24-19(25-27)14-11-22-16-5-3-2-4-13(14)16/h2-5,8-9,11-12,15,17,22,28H,6-7,10,21H2,1H3/t12-,15+,17+/m0/s1.
What are the key properties of (1R,2R,4S)-2-amino-4-[5-(1H-indol-3-yl)-2-(2-methylpyrazol-3-yl)-1,2,4-triazol-3-yl]cyclohexan-1-ol?
(1R,2R,4S)-2-amino-4-[5-(1H-indol-3-yl)-2-(2-methylpyrazol-3-yl)-1,2,4-triazol-3-yl]cyclohexan-1-ol has a molecular weight of 377.45 g/mol, XLogP of 2.10, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4S)-2-amino-4-[5-(1H-indol-3-yl)-2-(2-methylpyrazol-3-yl)-1,2,4-triazol-3-yl]cyclohexan-1-ol is sourced from PubChem (CID 155504121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).