N-cyclopropyl-4-(6-thiophen-2-ylpyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-amine

C17H14N6S — CID 10286648

IUPACN-cyclopropyl-4-(6-thiophen-2-ylpyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-amine
SMILESc1csc(-c2ccc3c(-c4ccnc(NC5CC5)n4)cnn3n2)c1
InChIInChI=1S/C17H14N6S/c1-2-16(24-9-1)14-5-6-15-12(10-19-23(15)22-14)13-7-8-18-17(21-13)20-11-3-4-11/h1-2,5-11H,3-4H2,(H,18,20,21)
InChIKeyULKTXVYWINYRCP-UHFFFAOYSA-N
MW334.41 g/mol
LogP3.49
Rot. Bonds4

About N-cyclopropyl-4-(6-thiophen-2-ylpyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-amine

N-cyclopropyl-4-(6-thiophen-2-ylpyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-amine (PubChem CID 10286648) has the molecular formula C17H14N6S and a molecular weight of 334.41 g/mol. Its IUPAC name is N-cyclopropyl-4-(6-thiophen-2-ylpyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-cyclopropyl-4-(6-thiophen-2-ylpyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-amine
PubChem CID10286648
Molecular FormulaC17H14N6S
Molecular Weight334.41 g/mol
Exact Mass334.10
IUPAC NameN-cyclopropyl-4-(6-thiophen-2-ylpyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-amine
SMILESc1csc(-c2ccc3c(-c4ccnc(NC5CC5)n4)cnn3n2)c1
InChIInChI=1S/C17H14N6S/c1-2-16(24-9-1)14-5-6-15-12(10-19-23(15)22-14)13-7-8-18-17(21-13)20-11-3-4-11/h1-2,5-11H,3-4H2,(H,18,20,21)
InChIKeyULKTXVYWINYRCP-UHFFFAOYSA-N
XLogP3.49
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.41
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-cyclopropyl-4-pyrazolo(1,5-b)pyridazin-3-ylpyrimidin-2-amine
CID 6918710
4-[3-(Thiophen-3-yl)pyrazolo[1,5-a]pyrimidin-6-yl]pyridine
CID 5329467
Pyrazolo[1,5-b]pyridazine deriv. 16
CID 6539359
7-(Thiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 900945
4-(2-cyclopropylpyrazolo[1,5-b]pyridazin-3-yl)-N-phenylpyrimidin-2-amine
CID 6539445
4-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
CID 137661231
4-(1-Phenyl-3-thiophen-2-ylpyrazol-4-yl)-4,10-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine
CID 2998031
4-[4-[(3-Methyl-2-thienyl)-phenyl-methyl]piperazin-1-yl]-1-phenyl-pyrazolo[3,4-d]pyrimidine
CID 3011486
N-cyclopentyl-3-[2-(cyclopentylamino)-4-pyrimidinyl]-7-(ethylsulfanyl)-2-(4-fluorophenyl)pyrazolo[1,5-alpha]pyridin-5-amine
CID 10142592
N-(4-methylsulfonylphenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine
CID 10172462
N-Cyclopropyl-(6-vinylpyrazolo[1,5-b]pyridazin-3-yl)-2-pyrimidinamine
CID 10192938
N-cyclopentyl-3-[2-(cyclopentylamino)-4-pyrimidinyl]-2-(4-fluorophenyl)-7-(isopropylsulfanyl)pyrazolo[1,5-alpha]pyridin-5-amine
CID 10208724

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-(6-thiophen-2-ylpyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-amine?
The IUPAC name of N-cyclopropyl-4-(6-thiophen-2-ylpyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-amine (CID 10286648) is N-cyclopropyl-4-(6-thiophen-2-ylpyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-amine.
What is the SMILES notation for N-cyclopropyl-4-(6-thiophen-2-ylpyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-amine?
The canonical SMILES for N-cyclopropyl-4-(6-thiophen-2-ylpyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-amine is c1csc(-c2ccc3c(-c4ccnc(NC5CC5)n4)cnn3n2)c1.
What is the InChIKey of N-cyclopropyl-4-(6-thiophen-2-ylpyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-amine?
The InChIKey is ULKTXVYWINYRCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6S/c1-2-16(24-9-1)14-5-6-15-12(10-19-23(15)22-14)13-7-8-18-17(21-13)20-11-3-4-11/h1-2,5-11H,3-4H2,(H,18,20,21).
What are the key properties of N-cyclopropyl-4-(6-thiophen-2-ylpyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-amine?
N-cyclopropyl-4-(6-thiophen-2-ylpyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-amine has a molecular weight of 334.41 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-(6-thiophen-2-ylpyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-amine is sourced from PubChem (CID 10286648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).