N-cyclobutyl-4-(5-pyridin-2-ylthiophen-2-yl)phthalazin-1-amine

C21H18N4S — CID 110170166

IUPACN-cyclobutyl-4-(5-pyridin-2-ylthiophen-2-yl)phthalazin-1-amine
SMILESc1ccc(-c2ccc(-c3nnc(NC4CCC4)c4ccccc34)s2)nc1
InChIInChI=1S/C21H18N4S/c1-2-9-16-15(8-1)20(24-25-21(16)23-14-6-5-7-14)19-12-11-18(26-19)17-10-3-4-13-22-17/h1-4,8-14H,5-7H2,(H,23,25)
InChIKeySYLMEJPLPMLJGP-UHFFFAOYSA-N
MW358.47 g/mol
LogP5.38
Rot. Bonds4

About N-cyclobutyl-4-(5-pyridin-2-ylthiophen-2-yl)phthalazin-1-amine

N-cyclobutyl-4-(5-pyridin-2-ylthiophen-2-yl)phthalazin-1-amine (PubChem CID 110170166) has the molecular formula C21H18N4S and a molecular weight of 358.47 g/mol. Its IUPAC name is N-cyclobutyl-4-(5-pyridin-2-ylthiophen-2-yl)phthalazin-1-amine.

Molecular Properties

Compound NameN-cyclobutyl-4-(5-pyridin-2-ylthiophen-2-yl)phthalazin-1-amine
PubChem CID110170166
Molecular FormulaC21H18N4S
Molecular Weight358.47 g/mol
Exact Mass358.13
IUPAC NameN-cyclobutyl-4-(5-pyridin-2-ylthiophen-2-yl)phthalazin-1-amine
SMILESc1ccc(-c2ccc(-c3nnc(NC4CCC4)c4ccccc34)s2)nc1
InChIInChI=1S/C21H18N4S/c1-2-9-16-15(8-1)20(24-25-21(16)23-14-6-5-7-14)19-12-11-18(26-19)17-10-3-4-13-22-17/h1-4,8-14H,5-7H2,(H,23,25)
InChIKeySYLMEJPLPMLJGP-UHFFFAOYSA-N
XLogP5.38
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.47
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-4-thiophen-2-ylphthalazin-1-amine
CID 704890
N-(3-methylbutyl)-4-(5-pyridin-2-ylthiophen-2-yl)phthalazin-1-amine;hydrochloride
CID 110172996
1-(furan-3-yl)-4-(5-pyridin-2-ylthiophen-2-yl)phthalazine
CID 110170174
1-(2-methylimidazol-1-yl)-4-(5-pyridin-2-ylthiophen-2-yl)phthalazine
CID 110172990
2-[5-[5-(5-pyridin-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]pyridine
CID 102384658
4-chloro-N-cyclopentylphthalazin-1-amine
CID 62140614
dichloroiron;2-(5-pyridin-2-ylthiophen-2-yl)pyridine
CID 22968583
2-N,4-N-dicyclohexyl-5-pyridin-2-ylpyrimidine-2,4-diamine
CID 123184269
2-[5-(5-methylthiophen-2-yl)thiophen-2-yl]pyridine
CID 14748061
N-cyclopentyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-amine
CID 110432237
5-pyridin-2-ylthiophene-2-carboxamide
CID 2778719
N-cyclopentyl-4-pyridin-2-ylpyrimidin-2-amine
CID 14347203

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-4-(5-pyridin-2-ylthiophen-2-yl)phthalazin-1-amine?
The IUPAC name of N-cyclobutyl-4-(5-pyridin-2-ylthiophen-2-yl)phthalazin-1-amine (CID 110170166) is N-cyclobutyl-4-(5-pyridin-2-ylthiophen-2-yl)phthalazin-1-amine.
What is the SMILES notation for N-cyclobutyl-4-(5-pyridin-2-ylthiophen-2-yl)phthalazin-1-amine?
The canonical SMILES for N-cyclobutyl-4-(5-pyridin-2-ylthiophen-2-yl)phthalazin-1-amine is c1ccc(-c2ccc(-c3nnc(NC4CCC4)c4ccccc34)s2)nc1.
What is the InChIKey of N-cyclobutyl-4-(5-pyridin-2-ylthiophen-2-yl)phthalazin-1-amine?
The InChIKey is SYLMEJPLPMLJGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4S/c1-2-9-16-15(8-1)20(24-25-21(16)23-14-6-5-7-14)19-12-11-18(26-19)17-10-3-4-13-22-17/h1-4,8-14H,5-7H2,(H,23,25).
What are the key properties of N-cyclobutyl-4-(5-pyridin-2-ylthiophen-2-yl)phthalazin-1-amine?
N-cyclobutyl-4-(5-pyridin-2-ylthiophen-2-yl)phthalazin-1-amine has a molecular weight of 358.47 g/mol, XLogP of 5.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-4-(5-pyridin-2-ylthiophen-2-yl)phthalazin-1-amine is sourced from PubChem (CID 110170166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).