4-[6-[(1S)-6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl]pyridazin-3-yl]-1H-indole

C18H19N5 — CID 123362451

IUPAC4-[6-[(1S)-6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl]pyridazin-3-yl]-1H-indole
SMILESCN1C[C@H]2CN(c3ccc(-c4cccc5[nH]ccc45)nn3)CC21
InChIInChI=1S/C18H19N5/c1-22-9-12-10-23(11-17(12)22)18-6-5-16(20-21-18)13-3-2-4-15-14(13)7-8-19-15/h2-8,12,17,19H,9-11H2,1H3/t12-,17?/m0/s1
InChIKeyBHSMCUYBYKPXHF-WHUIICBVSA-N
MW305.38 g/mol
LogP2.38
Rot. Bonds2

About 4-[6-[(1S)-6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl]pyridazin-3-yl]-1H-indole

4-[6-[(1S)-6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl]pyridazin-3-yl]-1H-indole (PubChem CID 123362451) has the molecular formula C18H19N5 and a molecular weight of 305.38 g/mol. Its IUPAC name is 4-[6-[(1S)-6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl]pyridazin-3-yl]-1H-indole.

Molecular Properties

Compound Name4-[6-[(1S)-6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl]pyridazin-3-yl]-1H-indole
PubChem CID123362451
Molecular FormulaC18H19N5
Molecular Weight305.38 g/mol
Exact Mass305.16
IUPAC Name4-[6-[(1S)-6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl]pyridazin-3-yl]-1H-indole
SMILESCN1C[C@H]2CN(c3ccc(-c4cccc5[nH]ccc45)nn3)CC21
InChIInChI=1S/C18H19N5/c1-22-9-12-10-23(11-17(12)22)18-6-5-16(20-21-18)13-3-2-4-15-14(13)7-8-19-15/h2-8,12,17,19H,9-11H2,1H3/t12-,17?/m0/s1
InChIKeyBHSMCUYBYKPXHF-WHUIICBVSA-N
XLogP2.38
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[6-[(1S)-6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl]pyridazin-3-yl]-1H-indole with MolForge

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Related Compounds

(E)-but-2-enedioic acid;3-[6-[(1R,5R)-6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl]pyridazin-3-yl]-1H-indole
CID 162339514
4-[5-[(1R,5R)-6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl]-3-pyridinyl]-1H-indole
CID 42610313
4-[5-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-2-pyridinyl]-1H-indole
CID 25157045
[4-[6-(6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl)pyridazin-3-yl]phenyl]hydrazine
CID 141156493
4-[6-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-3-pyridinyl]-1H-indole;2,2,2-trifluoroacetic acid
CID 67162337
(1S,5S)-3-[6-(4-bromophenyl)pyridazin-3-yl]-6-methyl-3,6-diazabicyclo[3.2.0]heptane;4-methylbenzenesulfonic acid
CID 159203340
4-(1H-indol-4-yl)-1-methylpyrazol-5-amine
CID 117303081
2-methyl-5-(6-phenylpyridazin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;dihydrochloride
CID 67162119
3-[6-(2,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pyridazin-3-yl]-1H-indole
CID 66846763
(1R,5R)-3-[6-(3-methylphenyl)pyridazin-3-yl]-3,6-diazabicyclo[3.2.0]heptane
CID 57467058
5-[6-(3-methyl-3,6-diazabicyclo[3.2.0]heptan-6-yl)pyridazin-3-yl]-1H-indole
CID 57467065
6-(1H-indol-4-yl)-3-methylpyridazine-4-carboxylic acid
CID 82382127

Frequently Asked Questions

What is the IUPAC name of 4-[6-[(1S)-6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl]pyridazin-3-yl]-1H-indole?
The IUPAC name of 4-[6-[(1S)-6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl]pyridazin-3-yl]-1H-indole (CID 123362451) is 4-[6-[(1S)-6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl]pyridazin-3-yl]-1H-indole.
What is the SMILES notation for 4-[6-[(1S)-6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl]pyridazin-3-yl]-1H-indole?
The canonical SMILES for 4-[6-[(1S)-6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl]pyridazin-3-yl]-1H-indole is CN1C[C@H]2CN(c3ccc(-c4cccc5[nH]ccc45)nn3)CC21.
What is the InChIKey of 4-[6-[(1S)-6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl]pyridazin-3-yl]-1H-indole?
The InChIKey is BHSMCUYBYKPXHF-WHUIICBVSA-N. The full InChI is InChI=1S/C18H19N5/c1-22-9-12-10-23(11-17(12)22)18-6-5-16(20-21-18)13-3-2-4-15-14(13)7-8-19-15/h2-8,12,17,19H,9-11H2,1H3/t12-,17?/m0/s1.
What are the key properties of 4-[6-[(1S)-6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl]pyridazin-3-yl]-1H-indole?
4-[6-[(1S)-6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl]pyridazin-3-yl]-1H-indole has a molecular weight of 305.38 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[(1S)-6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl]pyridazin-3-yl]-1H-indole is sourced from PubChem (CID 123362451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).