[6,7-dichloro-1-(1-methyltriazol-4-yl)-3-pyrazolidin-4-ylindol-2-yl]methanol

C15H16Cl2N6O — CID 170795242

IUPAC[6,7-dichloro-1-(1-methyltriazol-4-yl)-3-pyrazolidin-4-ylindol-2-yl]methanol
SMILESCn1cc(-n2c(CO)c(C3CNNC3)c3ccc(Cl)c(Cl)c32)nn1
InChIInChI=1S/C15H16Cl2N6O/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/h2-3,6,8,18-19,24H,4-5,7H2,1H3
InChIKeyNGSVMLZWJZCUAN-UHFFFAOYSA-N
MW367.24 g/mol
LogP1.75
Rot. Bonds3

About [6,7-dichloro-1-(1-methyltriazol-4-yl)-3-pyrazolidin-4-ylindol-2-yl]methanol

[6,7-dichloro-1-(1-methyltriazol-4-yl)-3-pyrazolidin-4-ylindol-2-yl]methanol (PubChem CID 170795242) has the molecular formula C15H16Cl2N6O and a molecular weight of 367.24 g/mol. Its IUPAC name is [6,7-dichloro-1-(1-methyltriazol-4-yl)-3-pyrazolidin-4-ylindol-2-yl]methanol.

Molecular Properties

Compound Name[6,7-dichloro-1-(1-methyltriazol-4-yl)-3-pyrazolidin-4-ylindol-2-yl]methanol
PubChem CID170795242
Molecular FormulaC15H16Cl2N6O
Molecular Weight367.24 g/mol
Exact Mass366.08
IUPAC Name[6,7-dichloro-1-(1-methyltriazol-4-yl)-3-pyrazolidin-4-ylindol-2-yl]methanol
SMILESCn1cc(-n2c(CO)c(C3CNNC3)c3ccc(Cl)c(Cl)c32)nn1
InChIInChI=1S/C15H16Cl2N6O/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/h2-3,6,8,18-19,24H,4-5,7H2,1H3
InChIKeyNGSVMLZWJZCUAN-UHFFFAOYSA-N
XLogP1.75
TPSA79.93 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.24
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze [6,7-dichloro-1-(1-methyltriazol-4-yl)-3-pyrazolidin-4-ylindol-2-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

US20230391786, Example 218
CID 170795255
US20230391786, Example 138
CID 170795235
US20230391786, Example 140
CID 170795236
US20230391786, Example 198
CID 170795247
US20230391786, Example 199
CID 170795248
US20230391786, Example 212
CID 170795252
US20230391786, Example 213
CID 170795253
US20230391786, Example 214
CID 170795254
US20230391786, Example 229
CID 170795258
3-[4-[6,7-dichloro-3-(1H-pyrazol-4-yl)indol-1-yl]triazol-1-yl]propan-1-ol
CID 170426507
2-[4-[6,7-dichloro-3-(1H-pyrazol-4-yl)indol-1-yl]triazol-1-yl]ethanol
CID 170426872
[6,7-dichloro-1-(1-methyltriazol-4-yl)-3-(1H-pyrazol-4-yl)indol-2-yl]methanol
CID 170427562

Frequently Asked Questions

What is the IUPAC name of [6,7-dichloro-1-(1-methyltriazol-4-yl)-3-pyrazolidin-4-ylindol-2-yl]methanol?
The IUPAC name of [6,7-dichloro-1-(1-methyltriazol-4-yl)-3-pyrazolidin-4-ylindol-2-yl]methanol (CID 170795242) is [6,7-dichloro-1-(1-methyltriazol-4-yl)-3-pyrazolidin-4-ylindol-2-yl]methanol.
What is the SMILES notation for [6,7-dichloro-1-(1-methyltriazol-4-yl)-3-pyrazolidin-4-ylindol-2-yl]methanol?
The canonical SMILES for [6,7-dichloro-1-(1-methyltriazol-4-yl)-3-pyrazolidin-4-ylindol-2-yl]methanol is Cn1cc(-n2c(CO)c(C3CNNC3)c3ccc(Cl)c(Cl)c32)nn1.
What is the InChIKey of [6,7-dichloro-1-(1-methyltriazol-4-yl)-3-pyrazolidin-4-ylindol-2-yl]methanol?
The InChIKey is NGSVMLZWJZCUAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N6O/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/h2-3,6,8,18-19,24H,4-5,7H2,1H3.
What are the key properties of [6,7-dichloro-1-(1-methyltriazol-4-yl)-3-pyrazolidin-4-ylindol-2-yl]methanol?
[6,7-dichloro-1-(1-methyltriazol-4-yl)-3-pyrazolidin-4-ylindol-2-yl]methanol has a molecular weight of 367.24 g/mol, XLogP of 1.75, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6,7-dichloro-1-(1-methyltriazol-4-yl)-3-pyrazolidin-4-ylindol-2-yl]methanol is sourced from PubChem (CID 170795242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).