4-(4,7-dichloro-2-pyridin-4-yl-1H-indol-3-yl)butan-1-amine

C17H17Cl2N3 — CID 5228525

IUPAC4-(4,7-dichloro-2-pyridin-4-yl-1H-indol-3-yl)butan-1-amine
SMILESNCCCCc1c(-c2ccncc2)[nH]c2c(Cl)ccc(Cl)c12
InChIInChI=1S/C17H17Cl2N3/c18-13-4-5-14(19)17-15(13)12(3-1-2-8-20)16(22-17)11-6-9-21-10-7-11/h4-7,9-10,22H,1-3,8,20H2
InChIKeyKRAGRIWENJQPTD-UHFFFAOYSA-N
MW334.25 g/mol
LogP4.82
Rot. Bonds5

About 4-(4,7-dichloro-2-pyridin-4-yl-1H-indol-3-yl)butan-1-amine

4-(4,7-dichloro-2-pyridin-4-yl-1H-indol-3-yl)butan-1-amine (PubChem CID 5228525) has the molecular formula C17H17Cl2N3 and a molecular weight of 334.25 g/mol. Its IUPAC name is 4-(4,7-dichloro-2-pyridin-4-yl-1H-indol-3-yl)butan-1-amine.

Molecular Properties

Compound Name4-(4,7-dichloro-2-pyridin-4-yl-1H-indol-3-yl)butan-1-amine
PubChem CID5228525
Molecular FormulaC17H17Cl2N3
Molecular Weight334.25 g/mol
Exact Mass333.08
IUPAC Name4-(4,7-dichloro-2-pyridin-4-yl-1H-indol-3-yl)butan-1-amine
SMILESNCCCCc1c(-c2ccncc2)[nH]c2c(Cl)ccc(Cl)c12
InChIInChI=1S/C17H17Cl2N3/c18-13-4-5-14(19)17-15(13)12(3-1-2-8-20)16(22-17)11-6-9-21-10-7-11/h4-7,9-10,22H,1-3,8,20H2
InChIKeyKRAGRIWENJQPTD-UHFFFAOYSA-N
XLogP4.82
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.25
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[4-chloro-2-(4-chlorophenyl)-7-(trifluoromethyl)-1H-indol-3-yl]butan-1-amine
CID 3630655
4-[4-chloro-2-pyridin-3-yl-7-(trifluoromethyl)-1H-indol-3-yl]butan-1-amine
CID 4235880
4-(5-chloro-2-pyridin-4-yl-1H-indol-3-yl)butan-1-amine
CID 3657414
4-(5,7-difluoro-2-pyridin-4-yl-1H-indol-3-yl)butan-1-amine
CID 3992198
4-[4-chloro-2-(3-iodophenyl)-7-(trifluoromethyl)-1H-indol-3-yl]butan-1-amine
CID 3992197
4-[4-chloro-2-(2-fluorophenyl)-7-methyl-1H-indol-3-yl]butan-1-amine
CID 4989795
4-[2-(4-bromophenyl)-6,7-dichloro-1H-indol-3-yl]butan-1-amine
CID 4040816
4-[6-chloro-2-(4-fluorophenyl)-7-methyl-1H-indol-3-yl]butan-1-amine
CID 5165758
4-[5-chloro-7-methyl-2-(4-methylphenyl)-1H-indol-3-yl]butan-1-amine
CID 5099960
4-(5,7-dichloro-2-phenyl-1H-indol-3-yl)butan-1-amine
CID 3460456
4-[2-(1-benzothiophen-3-yl)-4-chloro-7-methyl-1H-indol-3-yl]butan-1-amine
CID 3353814
4-[4-chloro-2-(2-methylphenyl)-7-(trifluoromethyl)-1H-indol-3-yl]butan-1-amine
CID 3988137

Frequently Asked Questions

What is the IUPAC name of 4-(4,7-dichloro-2-pyridin-4-yl-1H-indol-3-yl)butan-1-amine?
The IUPAC name of 4-(4,7-dichloro-2-pyridin-4-yl-1H-indol-3-yl)butan-1-amine (CID 5228525) is 4-(4,7-dichloro-2-pyridin-4-yl-1H-indol-3-yl)butan-1-amine.
What is the SMILES notation for 4-(4,7-dichloro-2-pyridin-4-yl-1H-indol-3-yl)butan-1-amine?
The canonical SMILES for 4-(4,7-dichloro-2-pyridin-4-yl-1H-indol-3-yl)butan-1-amine is NCCCCc1c(-c2ccncc2)[nH]c2c(Cl)ccc(Cl)c12.
What is the InChIKey of 4-(4,7-dichloro-2-pyridin-4-yl-1H-indol-3-yl)butan-1-amine?
The InChIKey is KRAGRIWENJQPTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N3/c18-13-4-5-14(19)17-15(13)12(3-1-2-8-20)16(22-17)11-6-9-21-10-7-11/h4-7,9-10,22H,1-3,8,20H2.
What are the key properties of 4-(4,7-dichloro-2-pyridin-4-yl-1H-indol-3-yl)butan-1-amine?
4-(4,7-dichloro-2-pyridin-4-yl-1H-indol-3-yl)butan-1-amine has a molecular weight of 334.25 g/mol, XLogP of 4.82, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,7-dichloro-2-pyridin-4-yl-1H-indol-3-yl)butan-1-amine is sourced from PubChem (CID 5228525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).