4-(5,7-difluoro-2-pyridin-4-yl-1H-indol-3-yl)butan-1-amine

C17H17F2N3 — CID 3992198

IUPAC4-(5,7-difluoro-2-pyridin-4-yl-1H-indol-3-yl)butan-1-amine
SMILESNCCCCc1c(-c2ccncc2)[nH]c2c(F)cc(F)cc12
InChIInChI=1S/C17H17F2N3/c18-12-9-14-13(3-1-2-6-20)16(11-4-7-21-8-5-11)22-17(14)15(19)10-12/h4-5,7-10,22H,1-3,6,20H2
InChIKeyVSRMMFMUKKJMDB-UHFFFAOYSA-N
MW301.34 g/mol
LogP3.79
Rot. Bonds5

About 4-(5,7-difluoro-2-pyridin-4-yl-1H-indol-3-yl)butan-1-amine

4-(5,7-difluoro-2-pyridin-4-yl-1H-indol-3-yl)butan-1-amine (PubChem CID 3992198) has the molecular formula C17H17F2N3 and a molecular weight of 301.34 g/mol. Its IUPAC name is 4-(5,7-difluoro-2-pyridin-4-yl-1H-indol-3-yl)butan-1-amine.

Molecular Properties

Compound Name4-(5,7-difluoro-2-pyridin-4-yl-1H-indol-3-yl)butan-1-amine
PubChem CID3992198
Molecular FormulaC17H17F2N3
Molecular Weight301.34 g/mol
Exact Mass301.14
IUPAC Name4-(5,7-difluoro-2-pyridin-4-yl-1H-indol-3-yl)butan-1-amine
SMILESNCCCCc1c(-c2ccncc2)[nH]c2c(F)cc(F)cc12
InChIInChI=1S/C17H17F2N3/c18-12-9-14-13(3-1-2-6-20)16(11-4-7-21-8-5-11)22-17(14)15(19)10-12/h4-5,7-10,22H,1-3,6,20H2
InChIKeyVSRMMFMUKKJMDB-UHFFFAOYSA-N
XLogP3.79
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 53.79
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-(5-chloro-2-pyridin-4-yl-1H-indol-3-yl)butan-1-amine
CID 3657414
4-[5,7-difluoro-2-(3-methylthiophen-2-yl)-1H-indol-3-yl]butan-1-amine
CID 4678903
4-(4,7-dichloro-2-pyridin-4-yl-1H-indol-3-yl)butan-1-amine
CID 5228525
4-[5-chloro-2-(4-fluorophenyl)-7-methyl-1H-indol-3-yl]butan-1-amine
CID 3574598
4-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]but-1-en-2-amine
CID 154961012
3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-2,2-difluoropropan-1-amine
CID 166586021
4-[2-(4-fluorophenyl)-7-methyl-1H-indol-3-yl]butan-1-amine
CID 4546289
4-[2-(4-fluorophenyl)-6,7-dimethyl-1H-indol-3-yl]butan-1-amine
CID 3458945
4-[2-(5-bromo-2-methoxyphenyl)-5,7-difluoro-1H-indol-3-yl]butan-1-amine
CID 3667584
2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethanamine;2,2,2-trifluoroacetic acid
CID 175850689
4-[2-(4-fluorophenyl)-1H-indol-3-yl]butan-1-amine
CID 3946658
4-[6-chloro-2-(4-fluorophenyl)-7-methyl-1H-indol-3-yl]butan-1-amine
CID 5165758

Frequently Asked Questions

What is the IUPAC name of 4-(5,7-difluoro-2-pyridin-4-yl-1H-indol-3-yl)butan-1-amine?
The IUPAC name of 4-(5,7-difluoro-2-pyridin-4-yl-1H-indol-3-yl)butan-1-amine (CID 3992198) is 4-(5,7-difluoro-2-pyridin-4-yl-1H-indol-3-yl)butan-1-amine.
What is the SMILES notation for 4-(5,7-difluoro-2-pyridin-4-yl-1H-indol-3-yl)butan-1-amine?
The canonical SMILES for 4-(5,7-difluoro-2-pyridin-4-yl-1H-indol-3-yl)butan-1-amine is NCCCCc1c(-c2ccncc2)[nH]c2c(F)cc(F)cc12.
What is the InChIKey of 4-(5,7-difluoro-2-pyridin-4-yl-1H-indol-3-yl)butan-1-amine?
The InChIKey is VSRMMFMUKKJMDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N3/c18-12-9-14-13(3-1-2-6-20)16(11-4-7-21-8-5-11)22-17(14)15(19)10-12/h4-5,7-10,22H,1-3,6,20H2.
What are the key properties of 4-(5,7-difluoro-2-pyridin-4-yl-1H-indol-3-yl)butan-1-amine?
4-(5,7-difluoro-2-pyridin-4-yl-1H-indol-3-yl)butan-1-amine has a molecular weight of 301.34 g/mol, XLogP of 3.79, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,7-difluoro-2-pyridin-4-yl-1H-indol-3-yl)butan-1-amine is sourced from PubChem (CID 3992198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).