N-(4-piperazin-1-yl-3-pyridinyl)-2-(1,3-thiazol-2-yl)imidazo[1,5-b]pyridazin-7-amine

C18H18N8S — CID 70984132

IUPACN-(4-piperazin-1-yl-3-pyridinyl)-2-(1,3-thiazol-2-yl)imidazo[1,5-b]pyridazin-7-amine
SMILESc1cc(N2CCNCC2)c(Nc2ncc3ccc(-c4nccs4)nn23)cn1
InChIInChI=1S/C18H18N8S/c1-2-14(17-21-7-10-27-17)24-26-13(1)11-22-18(26)23-15-12-20-4-3-16(15)25-8-5-19-6-9-25/h1-4,7,10-12,19H,5-6,8-9H2,(H,22,23)
InChIKeyLUJRXDRGQWULDY-UHFFFAOYSA-N
MW378.47 g/mol
LogP2.40
Rot. Bonds4

About N-(4-piperazin-1-yl-3-pyridinyl)-2-(1,3-thiazol-2-yl)imidazo[1,5-b]pyridazin-7-amine

N-(4-piperazin-1-yl-3-pyridinyl)-2-(1,3-thiazol-2-yl)imidazo[1,5-b]pyridazin-7-amine (PubChem CID 70984132) has the molecular formula C18H18N8S and a molecular weight of 378.47 g/mol. Its IUPAC name is N-(4-piperazin-1-yl-3-pyridinyl)-2-(1,3-thiazol-2-yl)imidazo[1,5-b]pyridazin-7-amine.

Molecular Properties

Compound NameN-(4-piperazin-1-yl-3-pyridinyl)-2-(1,3-thiazol-2-yl)imidazo[1,5-b]pyridazin-7-amine
PubChem CID70984132
Molecular FormulaC18H18N8S
Molecular Weight378.47 g/mol
Exact Mass378.14
IUPAC NameN-(4-piperazin-1-yl-3-pyridinyl)-2-(1,3-thiazol-2-yl)imidazo[1,5-b]pyridazin-7-amine
SMILESc1cc(N2CCNCC2)c(Nc2ncc3ccc(-c4nccs4)nn23)cn1
InChIInChI=1S/C18H18N8S/c1-2-14(17-21-7-10-27-17)24-26-13(1)11-22-18(26)23-15-12-20-4-3-16(15)25-8-5-19-6-9-25/h1-4,7,10-12,19H,5-6,8-9H2,(H,22,23)
InChIKeyLUJRXDRGQWULDY-UHFFFAOYSA-N
XLogP2.40
TPSA83.27 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-(4-piperazin-1-yl-3-pyridinyl)-2-(1,3-thiazol-2-yl)imidazo[1,5-b]pyridazin-7-amine?
The IUPAC name of N-(4-piperazin-1-yl-3-pyridinyl)-2-(1,3-thiazol-2-yl)imidazo[1,5-b]pyridazin-7-amine (CID 70984132) is N-(4-piperazin-1-yl-3-pyridinyl)-2-(1,3-thiazol-2-yl)imidazo[1,5-b]pyridazin-7-amine.
What is the SMILES notation for N-(4-piperazin-1-yl-3-pyridinyl)-2-(1,3-thiazol-2-yl)imidazo[1,5-b]pyridazin-7-amine?
The canonical SMILES for N-(4-piperazin-1-yl-3-pyridinyl)-2-(1,3-thiazol-2-yl)imidazo[1,5-b]pyridazin-7-amine is c1cc(N2CCNCC2)c(Nc2ncc3ccc(-c4nccs4)nn23)cn1.
What is the InChIKey of N-(4-piperazin-1-yl-3-pyridinyl)-2-(1,3-thiazol-2-yl)imidazo[1,5-b]pyridazin-7-amine?
The InChIKey is LUJRXDRGQWULDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N8S/c1-2-14(17-21-7-10-27-17)24-26-13(1)11-22-18(26)23-15-12-20-4-3-16(15)25-8-5-19-6-9-25/h1-4,7,10-12,19H,5-6,8-9H2,(H,22,23).
What are the key properties of N-(4-piperazin-1-yl-3-pyridinyl)-2-(1,3-thiazol-2-yl)imidazo[1,5-b]pyridazin-7-amine?
N-(4-piperazin-1-yl-3-pyridinyl)-2-(1,3-thiazol-2-yl)imidazo[1,5-b]pyridazin-7-amine has a molecular weight of 378.47 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-piperazin-1-yl-3-pyridinyl)-2-(1,3-thiazol-2-yl)imidazo[1,5-b]pyridazin-7-amine is sourced from PubChem (CID 70984132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).