5-chloro-6-oxo-4-[(3R)-3-[(sulfamoylamino)methyl]piperidin-1-yl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyridazine

C16H18ClF3N6O3S — CID 52874102

IUPAC5-chloro-6-oxo-4-[(3R)-3-[(sulfamoylamino)methyl]piperidin-1-yl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyridazine
SMILESNS(=O)(=O)NC[C@@H]1CCCN(c2cnn(-c3ccc(C(F)(F)F)cn3)c(=O)c2Cl)C1
InChIInChI=1S/C16H18ClF3N6O3S/c17-14-12(25-5-1-2-10(9-25)6-24-30(21,28)29)8-23-26(15(14)27)13-4-3-11(7-22-13)16(18,19)20/h3-4,7-8,10,24H,1-2,5-6,9H2,(H2,21,28,29)/t10-/m0/s1
InChIKeyNHZOIIWRZUOJQD-JTQLQIEISA-N
MW466.87 g/mol
LogP1.31
Rot. Bonds5

About 5-chloro-6-oxo-4-[(3R)-3-[(sulfamoylamino)methyl]piperidin-1-yl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyridazine

5-chloro-6-oxo-4-[(3R)-3-[(sulfamoylamino)methyl]piperidin-1-yl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyridazine (PubChem CID 52874102) has the molecular formula C16H18ClF3N6O3S and a molecular weight of 466.87 g/mol. Its IUPAC name is 5-chloro-6-oxo-4-[(3R)-3-[(sulfamoylamino)methyl]piperidin-1-yl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyridazine.

Molecular Properties

Compound Name5-chloro-6-oxo-4-[(3R)-3-[(sulfamoylamino)methyl]piperidin-1-yl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyridazine
PubChem CID52874102
Molecular FormulaC16H18ClF3N6O3S
Molecular Weight466.87 g/mol
Exact Mass466.08
IUPAC Name5-chloro-6-oxo-4-[(3R)-3-[(sulfamoylamino)methyl]piperidin-1-yl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyridazine
SMILESNS(=O)(=O)NC[C@@H]1CCCN(c2cnn(-c3ccc(C(F)(F)F)cn3)c(=O)c2Cl)C1
InChIInChI=1S/C16H18ClF3N6O3S/c17-14-12(25-5-1-2-10(9-25)6-24-30(21,28)29)8-23-26(15(14)27)13-4-3-11(7-22-13)16(18,19)20/h3-4,7-8,10,24H,1-2,5-6,9H2,(H2,21,28,29)/t10-/m0/s1
InChIKeyNHZOIIWRZUOJQD-JTQLQIEISA-N
XLogP1.31
TPSA123.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.87
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Launch Full Analysis

Related Compounds

2-[1-[5-chloro-6-oxo-1-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-4-yl]piperidin-3-yl]acetamide
CID 133355966
1-[5-chloro-6-oxo-1-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-4-yl]pyrrolidine-3-carboxylic acid
CID 122048613
4-chloro-5-(4-methylsulfonyl-1,4-diazepan-1-yl)-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one
CID 36657990
4-chloro-5-(3-prop-2-enoxypyrrolidin-1-yl)-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one
CID 133465469
4-chloro-5-(4-propanoylpiperazin-1-yl)-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one
CID 133285388
4-chloro-5-[cyclohexylmethyl(methyl)amino]-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one
CID 25470822
2-[4-[5-chloro-6-oxo-1-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-4-yl]piperazin-1-yl]-N-methylacetamide
CID 55431755
N-[[1-[5-chloro-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridazin-4-yl]piperidin-3-yl]methyl]acetamide
CID 133274906
4-chloro-5-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one
CID 56684792
4-chloro-5-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one
CID 55431884
4,5-dichloro-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one
CID 7064019
4-chloro-5-[(2S)-4-methyl-2-phenylpiperazin-1-yl]-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one
CID 25354922

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-oxo-4-[(3R)-3-[(sulfamoylamino)methyl]piperidin-1-yl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyridazine?
The IUPAC name of 5-chloro-6-oxo-4-[(3R)-3-[(sulfamoylamino)methyl]piperidin-1-yl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyridazine (CID 52874102) is 5-chloro-6-oxo-4-[(3R)-3-[(sulfamoylamino)methyl]piperidin-1-yl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyridazine.
What is the SMILES notation for 5-chloro-6-oxo-4-[(3R)-3-[(sulfamoylamino)methyl]piperidin-1-yl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyridazine?
The canonical SMILES for 5-chloro-6-oxo-4-[(3R)-3-[(sulfamoylamino)methyl]piperidin-1-yl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyridazine is NS(=O)(=O)NC[C@@H]1CCCN(c2cnn(-c3ccc(C(F)(F)F)cn3)c(=O)c2Cl)C1.
What is the InChIKey of 5-chloro-6-oxo-4-[(3R)-3-[(sulfamoylamino)methyl]piperidin-1-yl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyridazine?
The InChIKey is NHZOIIWRZUOJQD-JTQLQIEISA-N. The full InChI is InChI=1S/C16H18ClF3N6O3S/c17-14-12(25-5-1-2-10(9-25)6-24-30(21,28)29)8-23-26(15(14)27)13-4-3-11(7-22-13)16(18,19)20/h3-4,7-8,10,24H,1-2,5-6,9H2,(H2,21,28,29)/t10-/m0/s1.
What are the key properties of 5-chloro-6-oxo-4-[(3R)-3-[(sulfamoylamino)methyl]piperidin-1-yl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyridazine?
5-chloro-6-oxo-4-[(3R)-3-[(sulfamoylamino)methyl]piperidin-1-yl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyridazine has a molecular weight of 466.87 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-oxo-4-[(3R)-3-[(sulfamoylamino)methyl]piperidin-1-yl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyridazine is sourced from PubChem (CID 52874102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).