1H-indol-2-yl-(4-pyridazin-3-ylpiperazin-1-yl)methanone

C17H17N5O — CID 121060454

IUPAC1H-indol-2-yl-(4-pyridazin-3-ylpiperazin-1-yl)methanone
SMILESO=C(c1cc2ccccc2[nH]1)N1CCN(c2cccnn2)CC1
InChIInChI=1S/C17H17N5O/c23-17(15-12-13-4-1-2-5-14(13)19-15)22-10-8-21(9-11-22)16-6-3-7-18-20-16/h1-7,12,19H,8-11H2
InChIKeyZWCDSTKNGMFCFA-UHFFFAOYSA-N
MW307.36 g/mol
LogP1.92
Rot. Bonds2

About 1H-indol-2-yl-(4-pyridazin-3-ylpiperazin-1-yl)methanone

1H-indol-2-yl-(4-pyridazin-3-ylpiperazin-1-yl)methanone (PubChem CID 121060454) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is 1H-indol-2-yl-(4-pyridazin-3-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name1H-indol-2-yl-(4-pyridazin-3-ylpiperazin-1-yl)methanone
PubChem CID121060454
Molecular FormulaC17H17N5O
Molecular Weight307.36 g/mol
Exact Mass307.14
IUPAC Name1H-indol-2-yl-(4-pyridazin-3-ylpiperazin-1-yl)methanone
SMILESO=C(c1cc2ccccc2[nH]1)N1CCN(c2cccnn2)CC1
InChIInChI=1S/C17H17N5O/c23-17(15-12-13-4-1-2-5-14(13)19-15)22-10-8-21(9-11-22)16-6-3-7-18-20-16/h1-7,12,19H,8-11H2
InChIKeyZWCDSTKNGMFCFA-UHFFFAOYSA-N
XLogP1.92
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1H-indol-2-yl-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121060220
1H-indol-2-yl-[4-(3-pyrrolidin-1-ylquinoxalin-2-yl)piperazin-1-yl]methanone
CID 154835068
1H-indol-2-yl-(4-methylpiperazin-1-yl)methanone;hydrochloride
CID 134120748
1H-indol-2-yl-[(3S)-3-pyridazin-3-yloxypyrrolidin-1-yl]methanone
CID 100620291
1H-indol-2-yl-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone
CID 7015548
[4-(3-chlorophenyl)piperazin-1-yl]-(1H-indol-2-yl)methanone
CID 9208332
4-(1H-indole-2-carbonyl)-N,N-dimethylpiperazine-1-carboxamide
CID 34224299
(4-benzhydrylpiperazin-1-yl)-(1H-indol-2-yl)methanone
CID 4231166
furan-3-yl-[4-(1H-indole-2-carbonyl)piperazin-1-yl]methanone
CID 33018299
1H-indol-2-yl(piperazin-1-yl)methanone;hydrochloride
CID 47003021
1H-indol-2-yl(morpholin-4-yl)methanone
CID 825286
[4-(1H-indole-2-carbonyl)piperazin-1-yl]-pyrimidin-4-ylmethanone
CID 155950361

Frequently Asked Questions

What is the IUPAC name of 1H-indol-2-yl-(4-pyridazin-3-ylpiperazin-1-yl)methanone?
The IUPAC name of 1H-indol-2-yl-(4-pyridazin-3-ylpiperazin-1-yl)methanone (CID 121060454) is 1H-indol-2-yl-(4-pyridazin-3-ylpiperazin-1-yl)methanone.
What is the SMILES notation for 1H-indol-2-yl-(4-pyridazin-3-ylpiperazin-1-yl)methanone?
The canonical SMILES for 1H-indol-2-yl-(4-pyridazin-3-ylpiperazin-1-yl)methanone is O=C(c1cc2ccccc2[nH]1)N1CCN(c2cccnn2)CC1.
What is the InChIKey of 1H-indol-2-yl-(4-pyridazin-3-ylpiperazin-1-yl)methanone?
The InChIKey is ZWCDSTKNGMFCFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O/c23-17(15-12-13-4-1-2-5-14(13)19-15)22-10-8-21(9-11-22)16-6-3-7-18-20-16/h1-7,12,19H,8-11H2.
What are the key properties of 1H-indol-2-yl-(4-pyridazin-3-ylpiperazin-1-yl)methanone?
1H-indol-2-yl-(4-pyridazin-3-ylpiperazin-1-yl)methanone has a molecular weight of 307.36 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-2-yl-(4-pyridazin-3-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 121060454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).