[6,7-dichloro-1-(1-methyltriazol-4-yl)-3-(1H-pyrazol-4-yl)indol-2-yl]methanol

C15H12Cl2N6O — CID 170427562

IUPAC[6,7-dichloro-1-(1-methyltriazol-4-yl)-3-(1H-pyrazol-4-yl)indol-2-yl]methanol
SMILESCn1cc(-n2c(CO)c(-c3cn[nH]c3)c3ccc(Cl)c(Cl)c32)nn1
InChIInChI=1S/C15H12Cl2N6O/c1-22-6-12(20-21-22)23-11(7-24)13(8-4-18-19-5-8)9-2-3-10(16)14(17)15(9)23/h2-6,24H,7H2,1H3,(H,18,19)
InChIKeyJAAHCFKWIANWQO-UHFFFAOYSA-N
MW363.21 g/mol
LogP2.95
Rot. Bonds3

About [6,7-dichloro-1-(1-methyltriazol-4-yl)-3-(1H-pyrazol-4-yl)indol-2-yl]methanol

[6,7-dichloro-1-(1-methyltriazol-4-yl)-3-(1H-pyrazol-4-yl)indol-2-yl]methanol (PubChem CID 170427562) has the molecular formula C15H12Cl2N6O and a molecular weight of 363.21 g/mol. Its IUPAC name is [6,7-dichloro-1-(1-methyltriazol-4-yl)-3-(1H-pyrazol-4-yl)indol-2-yl]methanol.

Molecular Properties

Compound Name[6,7-dichloro-1-(1-methyltriazol-4-yl)-3-(1H-pyrazol-4-yl)indol-2-yl]methanol
PubChem CID170427562
Molecular FormulaC15H12Cl2N6O
Molecular Weight363.21 g/mol
Exact Mass362.04
IUPAC Name[6,7-dichloro-1-(1-methyltriazol-4-yl)-3-(1H-pyrazol-4-yl)indol-2-yl]methanol
SMILESCn1cc(-n2c(CO)c(-c3cn[nH]c3)c3ccc(Cl)c(Cl)c32)nn1
InChIInChI=1S/C15H12Cl2N6O/c1-22-6-12(20-21-22)23-11(7-24)13(8-4-18-19-5-8)9-2-3-10(16)14(17)15(9)23/h2-6,24H,7H2,1H3,(H,18,19)
InChIKeyJAAHCFKWIANWQO-UHFFFAOYSA-N
XLogP2.95
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.21
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [6,7-dichloro-1-(1-methyltriazol-4-yl)-3-(1H-pyrazol-4-yl)indol-2-yl]methanol with MolForge

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Related Compounds

US20230391786, Example 34
CID 170427549
US20230391786, Example 138
CID 170795235
US20230391786, Example 140
CID 170795236
US20230391786, Example 166
CID 170795242
2-[4-[4-amino-6-chloro-7-fluoro-3-(1H-pyrazol-4-yl)indol-1-yl]triazol-1-yl]ethanol
CID 170427472
CID 170427815
CID 170427815
3-[4-[6,7-dichloro-3-(1H-pyrazol-4-yl)indol-1-yl]triazol-1-yl]propan-1-ol
CID 170426507
CID 170426686
CID 170426686
2-[4-[4-amino-6-chloro-3-(1H-pyrazol-4-yl)indol-1-yl]triazol-1-yl]ethanol;hydrochloride
CID 170426869
2-[4-[4-amino-6-chloro-3-(1H-pyrazol-4-yl)indol-1-yl]triazol-1-yl]ethanol
CID 170426870
2-[4-[6,7-dichloro-3-(1H-pyrazol-4-yl)indol-1-yl]triazol-1-yl]ethanol
CID 170426872
ethyl 2-[4-[6,7-dichloro-3-(1H-pyrazol-4-yl)indol-1-yl]triazol-1-yl]acetate
CID 170427359

Frequently Asked Questions

What is the IUPAC name of [6,7-dichloro-1-(1-methyltriazol-4-yl)-3-(1H-pyrazol-4-yl)indol-2-yl]methanol?
The IUPAC name of [6,7-dichloro-1-(1-methyltriazol-4-yl)-3-(1H-pyrazol-4-yl)indol-2-yl]methanol (CID 170427562) is [6,7-dichloro-1-(1-methyltriazol-4-yl)-3-(1H-pyrazol-4-yl)indol-2-yl]methanol.
What is the SMILES notation for [6,7-dichloro-1-(1-methyltriazol-4-yl)-3-(1H-pyrazol-4-yl)indol-2-yl]methanol?
The canonical SMILES for [6,7-dichloro-1-(1-methyltriazol-4-yl)-3-(1H-pyrazol-4-yl)indol-2-yl]methanol is Cn1cc(-n2c(CO)c(-c3cn[nH]c3)c3ccc(Cl)c(Cl)c32)nn1.
What is the InChIKey of [6,7-dichloro-1-(1-methyltriazol-4-yl)-3-(1H-pyrazol-4-yl)indol-2-yl]methanol?
The InChIKey is JAAHCFKWIANWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N6O/c1-22-6-12(20-21-22)23-11(7-24)13(8-4-18-19-5-8)9-2-3-10(16)14(17)15(9)23/h2-6,24H,7H2,1H3,(H,18,19).
What are the key properties of [6,7-dichloro-1-(1-methyltriazol-4-yl)-3-(1H-pyrazol-4-yl)indol-2-yl]methanol?
[6,7-dichloro-1-(1-methyltriazol-4-yl)-3-(1H-pyrazol-4-yl)indol-2-yl]methanol has a molecular weight of 363.21 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6,7-dichloro-1-(1-methyltriazol-4-yl)-3-(1H-pyrazol-4-yl)indol-2-yl]methanol is sourced from PubChem (CID 170427562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).