1-benzyl-N-(6-cyclopropylpyridazin-3-yl)indol-5-amine

C22H20N4 — CID 142726467

IUPAC1-benzyl-N-(6-cyclopropylpyridazin-3-yl)indol-5-amine
SMILESc1ccc(Cn2ccc3cc(Nc4ccc(C5CC5)nn4)ccc32)cc1
InChIInChI=1S/C22H20N4/c1-2-4-16(5-3-1)15-26-13-12-18-14-19(8-10-21(18)26)23-22-11-9-20(24-25-22)17-6-7-17/h1-5,8-14,17H,6-7,15H2,(H,23,25)
InChIKeyKMMBCPGQDDCHGG-UHFFFAOYSA-N
MW340.43 g/mol
LogP5.10
Rot. Bonds5

About 1-benzyl-N-(6-cyclopropylpyridazin-3-yl)indol-5-amine

1-benzyl-N-(6-cyclopropylpyridazin-3-yl)indol-5-amine (PubChem CID 142726467) has the molecular formula C22H20N4 and a molecular weight of 340.43 g/mol. Its IUPAC name is 1-benzyl-N-(6-cyclopropylpyridazin-3-yl)indol-5-amine.

Molecular Properties

Compound Name1-benzyl-N-(6-cyclopropylpyridazin-3-yl)indol-5-amine
PubChem CID142726467
Molecular FormulaC22H20N4
Molecular Weight340.43 g/mol
Exact Mass340.17
IUPAC Name1-benzyl-N-(6-cyclopropylpyridazin-3-yl)indol-5-amine
SMILESc1ccc(Cn2ccc3cc(Nc4ccc(C5CC5)nn4)ccc32)cc1
InChIInChI=1S/C22H20N4/c1-2-4-16(5-3-1)15-26-13-12-18-14-19(8-10-21(18)26)23-22-11-9-20(24-25-22)17-6-7-17/h1-5,8-14,17H,6-7,15H2,(H,23,25)
InChIKeyKMMBCPGQDDCHGG-UHFFFAOYSA-N
XLogP5.10
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.43
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(1-benzylindol-5-yl)amino]-5-methyl-3-pyridinyl]ethenol
CID 138501206
2-[(1-benzylindol-5-yl)amino]-5-cyclopentylbenzoic acid
CID 90153225
5-cyclopropyl-2-[[1-(pyridin-4-ylmethyl)indol-5-yl]amino]pyridine-3-carboxylic acid
CID 90152618
N-(1-benzylindol-5-yl)-[1,3]dioxolo[4,5-g]quinazolin-8-amine;hydrochloride
CID 67719057
1-benzyl-N-[2-(1-methoxyethenyl)-4-methylphenyl]indol-5-amine
CID 138501004
1,2-bis(1-benzylindol-6-yl)hydrazine
CID 69325205
N-(1-benzylindol-5-yl)-6-[2-[(2R)-pyrrolidin-2-yl]ethynyl]thieno[2,3-d]pyrimidin-4-amine
CID 90948871
N-(1-benzylindol-5-yl)-5-(1-methylpiperidin-4-yl)oxyquinazolin-4-amine;hydrochloride
CID 68882984
1-benzyl-N'-hydroxyindole-5-carboximidamide
CID 107920718
N-[1-[(3-cyclopropylphenyl)methyl]indol-5-yl]prop-2-enamide
CID 156881420
methyl 2-[(1-benzylindol-5-yl)amino]-5-(trifluoromethyl)benzoate
CID 90152875
5-cyclopropyl-2-[[1-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]indol-5-yl]amino]benzoic acid
CID 90152573

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(6-cyclopropylpyridazin-3-yl)indol-5-amine?
The IUPAC name of 1-benzyl-N-(6-cyclopropylpyridazin-3-yl)indol-5-amine (CID 142726467) is 1-benzyl-N-(6-cyclopropylpyridazin-3-yl)indol-5-amine.
What is the SMILES notation for 1-benzyl-N-(6-cyclopropylpyridazin-3-yl)indol-5-amine?
The canonical SMILES for 1-benzyl-N-(6-cyclopropylpyridazin-3-yl)indol-5-amine is c1ccc(Cn2ccc3cc(Nc4ccc(C5CC5)nn4)ccc32)cc1.
What is the InChIKey of 1-benzyl-N-(6-cyclopropylpyridazin-3-yl)indol-5-amine?
The InChIKey is KMMBCPGQDDCHGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4/c1-2-4-16(5-3-1)15-26-13-12-18-14-19(8-10-21(18)26)23-22-11-9-20(24-25-22)17-6-7-17/h1-5,8-14,17H,6-7,15H2,(H,23,25).
What are the key properties of 1-benzyl-N-(6-cyclopropylpyridazin-3-yl)indol-5-amine?
1-benzyl-N-(6-cyclopropylpyridazin-3-yl)indol-5-amine has a molecular weight of 340.43 g/mol, XLogP of 5.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(6-cyclopropylpyridazin-3-yl)indol-5-amine is sourced from PubChem (CID 142726467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).