[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-(3-pyrazol-1-ylphenyl)methanone

C24H29N7O — CID 122335890

IUPAC[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-(3-pyrazol-1-ylphenyl)methanone
SMILESCC1CCCCN1c1ccc(N2CCN(C(=O)c3cccc(-n4cccn4)c3)CC2)nn1
InChIInChI=1S/C24H29N7O/c1-19-6-2-3-12-30(19)23-10-9-22(26-27-23)28-14-16-29(17-15-28)24(32)20-7-4-8-21(18-20)31-13-5-11-25-31/h4-5,7-11,13,18-19H,2-3,6,12,14-17H2,1H3
InChIKeyNIEYVFRJIYVAEV-UHFFFAOYSA-N
MW431.54 g/mol
LogP3.00
Rot. Bonds4

About [4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-(3-pyrazol-1-ylphenyl)methanone

[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-(3-pyrazol-1-ylphenyl)methanone (PubChem CID 122335890) has the molecular formula C24H29N7O and a molecular weight of 431.54 g/mol. Its IUPAC name is [4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-(3-pyrazol-1-ylphenyl)methanone.

Molecular Properties

Compound Name[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-(3-pyrazol-1-ylphenyl)methanone
PubChem CID122335890
Molecular FormulaC24H29N7O
Molecular Weight431.54 g/mol
Exact Mass431.24
IUPAC Name[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-(3-pyrazol-1-ylphenyl)methanone
SMILESCC1CCCCN1c1ccc(N2CCN(C(=O)c3cccc(-n4cccn4)c3)CC2)nn1
InChIInChI=1S/C24H29N7O/c1-19-6-2-3-12-30(19)23-10-9-22(26-27-23)28-14-16-29(17-15-28)24(32)20-7-4-8-21(18-20)31-13-5-11-25-31/h4-5,7-11,13,18-19H,2-3,6,12,14-17H2,1H3
InChIKeyNIEYVFRJIYVAEV-UHFFFAOYSA-N
XLogP3.00
TPSA70.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(3-methylphenyl)-[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121053406
[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-quinoxalin-6-ylmethanone
CID 122335889
[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-naphthalen-2-ylmethanone
CID 121053897
(3-fluoro-4-methylphenyl)-[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122335846
1-[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 121053393
1,3-benzothiazol-6-yl-[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122335774
[4-(dimethylamino)phenyl]-[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122335819
(3-pyrazol-1-ylphenyl)-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122337319
(3-pyrazol-1-ylphenyl)-[4-(1,2,5-thiadiazol-3-yl)piperazin-1-yl]methanone
CID 126853262
(3R)-1-(3-pyrazol-1-ylbenzoyl)piperidine-3-carboxylic acid
CID 124576728
[2-(2-methylpiperidin-1-yl)-4-pyridinyl]-pyrrolidin-1-ylmethanone
CID 166191035
(3R)-1-(3-pyrazol-1-ylbenzoyl)pyrrolidine-3-carboxylic acid
CID 129350524

Frequently Asked Questions

What is the IUPAC name of [4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-(3-pyrazol-1-ylphenyl)methanone?
The IUPAC name of [4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-(3-pyrazol-1-ylphenyl)methanone (CID 122335890) is [4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-(3-pyrazol-1-ylphenyl)methanone.
What is the SMILES notation for [4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-(3-pyrazol-1-ylphenyl)methanone?
The canonical SMILES for [4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-(3-pyrazol-1-ylphenyl)methanone is CC1CCCCN1c1ccc(N2CCN(C(=O)c3cccc(-n4cccn4)c3)CC2)nn1.
What is the InChIKey of [4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-(3-pyrazol-1-ylphenyl)methanone?
The InChIKey is NIEYVFRJIYVAEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7O/c1-19-6-2-3-12-30(19)23-10-9-22(26-27-23)28-14-16-29(17-15-28)24(32)20-7-4-8-21(18-20)31-13-5-11-25-31/h4-5,7-11,13,18-19H,2-3,6,12,14-17H2,1H3.
What are the key properties of [4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-(3-pyrazol-1-ylphenyl)methanone?
[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-(3-pyrazol-1-ylphenyl)methanone has a molecular weight of 431.54 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-(3-pyrazol-1-ylphenyl)methanone is sourced from PubChem (CID 122335890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).