6,7-dichloro-N-(oxetan-3-yl)-3-(1H-pyrazol-4-yl)-1H-indol-4-amine

C14H12Cl2N4O — CID 170426522

IUPAC6,7-dichloro-N-(oxetan-3-yl)-3-(1H-pyrazol-4-yl)-1H-indol-4-amine
SMILESClc1cc(NC2COC2)c2c(-c3cn[nH]c3)c[nH]c2c1Cl
InChIInChI=1S/C14H12Cl2N4O/c15-10-1-11(20-8-5-21-6-8)12-9(7-2-18-19-3-7)4-17-14(12)13(10)16/h1-4,8,17,20H,5-6H2,(H,18,19)
InChIKeyJAYIJCMZSSNOGG-UHFFFAOYSA-N
MW323.18 g/mol
LogP3.68
Rot. Bonds3

About 6,7-dichloro-N-(oxetan-3-yl)-3-(1H-pyrazol-4-yl)-1H-indol-4-amine

6,7-dichloro-N-(oxetan-3-yl)-3-(1H-pyrazol-4-yl)-1H-indol-4-amine (PubChem CID 170426522) has the molecular formula C14H12Cl2N4O and a molecular weight of 323.18 g/mol. Its IUPAC name is 6,7-dichloro-N-(oxetan-3-yl)-3-(1H-pyrazol-4-yl)-1H-indol-4-amine.

Molecular Properties

Compound Name6,7-dichloro-N-(oxetan-3-yl)-3-(1H-pyrazol-4-yl)-1H-indol-4-amine
PubChem CID170426522
Molecular FormulaC14H12Cl2N4O
Molecular Weight323.18 g/mol
Exact Mass322.04
IUPAC Name6,7-dichloro-N-(oxetan-3-yl)-3-(1H-pyrazol-4-yl)-1H-indol-4-amine
SMILESClc1cc(NC2COC2)c2c(-c3cn[nH]c3)c[nH]c2c1Cl
InChIInChI=1S/C14H12Cl2N4O/c15-10-1-11(20-8-5-21-6-8)12-9(7-2-18-19-3-7)4-17-14(12)13(10)16/h1-4,8,17,20H,5-6H2,(H,18,19)
InChIKeyJAYIJCMZSSNOGG-UHFFFAOYSA-N
XLogP3.68
TPSA65.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.18
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

US20230391786, Example 170
CID 170426687
US20230391786, Example 123
CID 170426818
US20230391786, Example 272
CID 170426886
US20230391786, Example 122
CID 170427066
US20230391786, Example 186
CID 170427139
US20230391786, Example 208
CID 170427473
US20230391786, Example 171
CID 170427560
US20230391786, Example 187
CID 170427620
US20230391786, Example 169
CID 170427659
US20230391786, Example 188
CID 170427672
US20230391786, Example 205
CID 170426614
US20230391786, Example 210
CID 170426624

Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-N-(oxetan-3-yl)-3-(1H-pyrazol-4-yl)-1H-indol-4-amine?
The IUPAC name of 6,7-dichloro-N-(oxetan-3-yl)-3-(1H-pyrazol-4-yl)-1H-indol-4-amine (CID 170426522) is 6,7-dichloro-N-(oxetan-3-yl)-3-(1H-pyrazol-4-yl)-1H-indol-4-amine.
What is the SMILES notation for 6,7-dichloro-N-(oxetan-3-yl)-3-(1H-pyrazol-4-yl)-1H-indol-4-amine?
The canonical SMILES for 6,7-dichloro-N-(oxetan-3-yl)-3-(1H-pyrazol-4-yl)-1H-indol-4-amine is Clc1cc(NC2COC2)c2c(-c3cn[nH]c3)c[nH]c2c1Cl.
What is the InChIKey of 6,7-dichloro-N-(oxetan-3-yl)-3-(1H-pyrazol-4-yl)-1H-indol-4-amine?
The InChIKey is JAYIJCMZSSNOGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N4O/c15-10-1-11(20-8-5-21-6-8)12-9(7-2-18-19-3-7)4-17-14(12)13(10)16/h1-4,8,17,20H,5-6H2,(H,18,19).
What are the key properties of 6,7-dichloro-N-(oxetan-3-yl)-3-(1H-pyrazol-4-yl)-1H-indol-4-amine?
6,7-dichloro-N-(oxetan-3-yl)-3-(1H-pyrazol-4-yl)-1H-indol-4-amine has a molecular weight of 323.18 g/mol, XLogP of 3.68, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-N-(oxetan-3-yl)-3-(1H-pyrazol-4-yl)-1H-indol-4-amine is sourced from PubChem (CID 170426522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).