4-N-(3,5-dichloropyridazin-4-yl)-1-N-[2-(1H-indol-3-yl)ethyl]benzene-1,4-diamine

C20H17Cl2N5 — CID 59555711

IUPAC4-N-(3,5-dichloropyridazin-4-yl)-1-N-[2-(1H-indol-3-yl)ethyl]benzene-1,4-diamine
SMILESClc1cnnc(Cl)c1Nc1ccc(NCCc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C20H17Cl2N5/c21-17-12-25-27-20(22)19(17)26-15-7-5-14(6-8-15)23-10-9-13-11-24-18-4-2-1-3-16(13)18/h1-8,11-12,23-24H,9-10H2,(H,25,26)
InChIKeyKLPGLZJEAIGQHC-UHFFFAOYSA-N
MW398.30 g/mol
LogP5.66
Rot. Bonds6

About 4-N-(3,5-dichloropyridazin-4-yl)-1-N-[2-(1H-indol-3-yl)ethyl]benzene-1,4-diamine

4-N-(3,5-dichloropyridazin-4-yl)-1-N-[2-(1H-indol-3-yl)ethyl]benzene-1,4-diamine (PubChem CID 59555711) has the molecular formula C20H17Cl2N5 and a molecular weight of 398.30 g/mol. Its IUPAC name is 4-N-(3,5-dichloropyridazin-4-yl)-1-N-[2-(1H-indol-3-yl)ethyl]benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(3,5-dichloropyridazin-4-yl)-1-N-[2-(1H-indol-3-yl)ethyl]benzene-1,4-diamine
PubChem CID59555711
Molecular FormulaC20H17Cl2N5
Molecular Weight398.30 g/mol
Exact Mass397.09
IUPAC Name4-N-(3,5-dichloropyridazin-4-yl)-1-N-[2-(1H-indol-3-yl)ethyl]benzene-1,4-diamine
SMILESClc1cnnc(Cl)c1Nc1ccc(NCCc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C20H17Cl2N5/c21-17-12-25-27-20(22)19(17)26-15-7-5-14(6-8-15)23-10-9-13-11-24-18-4-2-1-3-16(13)18/h1-8,11-12,23-24H,9-10H2,(H,25,26)
InChIKeyKLPGLZJEAIGQHC-UHFFFAOYSA-N
XLogP5.66
TPSA65.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.30
LogP ≤ 55.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-N-(4-chlorophenyl)-3-N-[2-(1H-indol-3-yl)ethyl]-1,2,4-triazine-3,5-diamine
CID 112955870
2-chloro-N-[2-(1H-indol-3-yl)ethyl]aniline
CID 171397349
1-N-[2-(1H-indol-3-yl)ethyl]-4-N-(pyridin-4-ylmethyl)benzene-1,4-diamine
CID 59555658
3-N-[2-(1H-indol-3-yl)ethyl]-5-N-(4-pyrrolidin-1-ylphenyl)-1,2,4-triazine-3,5-diamine
CID 112955901
1-N-[2-(1H-indol-3-yl)ethyl]-4-N-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)benzene-1,4-diamine
CID 59555595
4-N-(4-chlorophenyl)-6-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4,6-diamine
CID 112862383
[4-[4-[2-(1H-indol-3-yl)ethylamino]anilino]-2,3-dihydropyridin-2-yl]methanol
CID 143202751
2-N-(3,4-dichlorophenyl)-4-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-2,4-diamine
CID 112896754
N-[2-(1H-indol-3-yl)ethyl]-1H-indol-3-amine
CID 91539379
[4-[4-[2-(1H-indol-3-yl)ethylamino]anilino]-3-pyridinyl]-phenylmethanol
CID 59555714
N-[2-(1H-indol-3-yl)ethyl]-1H-pyrrol-2-amine
CID 164562122
1-[4-[4-[2-(1H-indol-3-yl)ethylamino]anilino]-2-pyridinyl]ethanol
CID 59555722

Frequently Asked Questions

What is the IUPAC name of 4-N-(3,5-dichloropyridazin-4-yl)-1-N-[2-(1H-indol-3-yl)ethyl]benzene-1,4-diamine?
The IUPAC name of 4-N-(3,5-dichloropyridazin-4-yl)-1-N-[2-(1H-indol-3-yl)ethyl]benzene-1,4-diamine (CID 59555711) is 4-N-(3,5-dichloropyridazin-4-yl)-1-N-[2-(1H-indol-3-yl)ethyl]benzene-1,4-diamine.
What is the SMILES notation for 4-N-(3,5-dichloropyridazin-4-yl)-1-N-[2-(1H-indol-3-yl)ethyl]benzene-1,4-diamine?
The canonical SMILES for 4-N-(3,5-dichloropyridazin-4-yl)-1-N-[2-(1H-indol-3-yl)ethyl]benzene-1,4-diamine is Clc1cnnc(Cl)c1Nc1ccc(NCCc2c[nH]c3ccccc23)cc1.
What is the InChIKey of 4-N-(3,5-dichloropyridazin-4-yl)-1-N-[2-(1H-indol-3-yl)ethyl]benzene-1,4-diamine?
The InChIKey is KLPGLZJEAIGQHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2N5/c21-17-12-25-27-20(22)19(17)26-15-7-5-14(6-8-15)23-10-9-13-11-24-18-4-2-1-3-16(13)18/h1-8,11-12,23-24H,9-10H2,(H,25,26).
What are the key properties of 4-N-(3,5-dichloropyridazin-4-yl)-1-N-[2-(1H-indol-3-yl)ethyl]benzene-1,4-diamine?
4-N-(3,5-dichloropyridazin-4-yl)-1-N-[2-(1H-indol-3-yl)ethyl]benzene-1,4-diamine has a molecular weight of 398.30 g/mol, XLogP of 5.66, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3,5-dichloropyridazin-4-yl)-1-N-[2-(1H-indol-3-yl)ethyl]benzene-1,4-diamine is sourced from PubChem (CID 59555711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).