N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridazin-3-amine

C25H28N4O2S — CID 108775026

IUPACN-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridazin-3-amine
SMILESO=S(=O)(c1ccc(CNc2ccc(-c3ccc4c(c3)CCCC4)nn2)cc1)N1CCCC1
InChIInChI=1S/C25H28N4O2S/c30-32(31,29-15-3-4-16-29)23-11-7-19(8-12-23)18-26-25-14-13-24(27-28-25)22-10-9-20-5-1-2-6-21(20)17-22/h7-14,17H,1-6,15-16,18H2,(H,26,28)
InChIKeyMAEXNSAIFNJJEV-UHFFFAOYSA-N
MW448.59 g/mol
LogP4.42
Rot. Bonds6

About N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridazin-3-amine

N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridazin-3-amine (PubChem CID 108775026) has the molecular formula C25H28N4O2S and a molecular weight of 448.59 g/mol. Its IUPAC name is N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridazin-3-amine.

Molecular Properties

Compound NameN-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridazin-3-amine
PubChem CID108775026
Molecular FormulaC25H28N4O2S
Molecular Weight448.59 g/mol
Exact Mass448.19
IUPAC NameN-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridazin-3-amine
SMILESO=S(=O)(c1ccc(CNc2ccc(-c3ccc4c(c3)CCCC4)nn2)cc1)N1CCCC1
InChIInChI=1S/C25H28N4O2S/c30-32(31,29-15-3-4-16-29)23-11-7-19(8-12-23)18-26-25-14-13-24(27-28-25)22-10-9-20-5-1-2-6-21(20)17-22/h7-14,17H,1-6,15-16,18H2,(H,26,28)
InChIKeyMAEXNSAIFNJJEV-UHFFFAOYSA-N
XLogP4.42
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.59
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-methoxyphenyl)-N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]methyl]pyridazin-3-amine
CID 108774984
N-[(4-chlorophenyl)methyl]-6-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)pyridazin-3-amine
CID 53104537
6-phenyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]pyrimidin-4-amine
CID 108775001
N-benzyl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 5268156
6-(4-fluorophenyl)-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]pyridazin-3-amine
CID 108775128
N-[(4-methylphenyl)methyl]-4-piperidin-1-ylsulfonylaniline
CID 110826196
5-piperidin-1-ylsulfonyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyridin-2-amine
CID 9024535
N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-4-(trifluoromethyl)pyridin-2-amine
CID 133358464
N-(4-ethylphenyl)-6-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)pyridazin-3-amine
CID 53104720
N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133489914
5-tert-butyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1,3,4-thiadiazol-2-amine
CID 133383263
5-bromo-3-methyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]pyridin-2-amine
CID 133374222

Frequently Asked Questions

What is the IUPAC name of N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridazin-3-amine?
The IUPAC name of N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridazin-3-amine (CID 108775026) is N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridazin-3-amine.
What is the SMILES notation for N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridazin-3-amine?
The canonical SMILES for N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridazin-3-amine is O=S(=O)(c1ccc(CNc2ccc(-c3ccc4c(c3)CCCC4)nn2)cc1)N1CCCC1.
What is the InChIKey of N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridazin-3-amine?
The InChIKey is MAEXNSAIFNJJEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O2S/c30-32(31,29-15-3-4-16-29)23-11-7-19(8-12-23)18-26-25-14-13-24(27-28-25)22-10-9-20-5-1-2-6-21(20)17-22/h7-14,17H,1-6,15-16,18H2,(H,26,28).
What are the key properties of N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridazin-3-amine?
N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridazin-3-amine has a molecular weight of 448.59 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridazin-3-amine is sourced from PubChem (CID 108775026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).