N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(6-methoxypyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-amine

C19H16N6O3 — CID 6539392

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(6-methoxypyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-amine
SMILESCOc1ccc2c(-c3ccnc(Nc4ccc5c(c4)OCCO5)n3)cnn2n1
InChIInChI=1S/C19H16N6O3/c1-26-18-5-3-15-13(11-21-25(15)24-18)14-6-7-20-19(23-14)22-12-2-4-16-17(10-12)28-9-8-27-16/h2-7,10-11H,8-9H2,1H3,(H,20,22,23)
InChIKeyILJWGWQUBUXSLL-UHFFFAOYSA-N
MW376.38 g/mol
LogP2.71
Rot. Bonds4

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(6-methoxypyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-amine

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(6-methoxypyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-amine (PubChem CID 6539392) has the molecular formula C19H16N6O3 and a molecular weight of 376.38 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(6-methoxypyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(6-methoxypyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-amine
PubChem CID6539392
Molecular FormulaC19H16N6O3
Molecular Weight376.38 g/mol
Exact Mass376.13
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(6-methoxypyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-amine
SMILESCOc1ccc2c(-c3ccnc(Nc4ccc5c(c4)OCCO5)n3)cnn2n1
InChIInChI=1S/C19H16N6O3/c1-26-18-5-3-15-13(11-21-25(15)24-18)14-6-7-20-19(23-14)22-12-2-4-16-17(10-12)28-9-8-27-16/h2-7,10-11H,8-9H2,1H3,(H,20,22,23)
InChIKeyILJWGWQUBUXSLL-UHFFFAOYSA-N
XLogP2.71
TPSA95.69 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.38
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

CP466722
CID 44551660
Pyrazolo[1,5-b]pyridazine deriv. 27
CID 6539369
Pyrazolo[1,5-b]pyridazine deriv. 29
CID 6539371
Bizrolertinib
CID 146448634
Pyrazolopyridazine 1
CID 6539361
Pyrazolo[1,5-b]pyridazine deriv. 26
CID 6539368
Pyrazolo[1,5-b]pyridazine deriv. 33
CID 6539375
Pyrazolo[1,5-b]pyridazine deriv. 43
CID 6539385
Sgc-clk-1
CID 6539389
Pyrazolo[1,5-b]pyridazine deriv. 62
CID 6539404
Pyrazolo[1,5-b]pyridazine deriv. 67
CID 6539409
Pyrazolo[1,5-b]pyridazine deriv. 69
CID 6539411

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(6-methoxypyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-amine?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(6-methoxypyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-amine (CID 6539392) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(6-methoxypyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-amine.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(6-methoxypyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-amine?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(6-methoxypyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-amine is COc1ccc2c(-c3ccnc(Nc4ccc5c(c4)OCCO5)n3)cnn2n1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(6-methoxypyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-amine?
The InChIKey is ILJWGWQUBUXSLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O3/c1-26-18-5-3-15-13(11-21-25(15)24-18)14-6-7-20-19(23-14)22-12-2-4-16-17(10-12)28-9-8-27-16/h2-7,10-11H,8-9H2,1H3,(H,20,22,23).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(6-methoxypyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-amine?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(6-methoxypyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-amine has a molecular weight of 376.38 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(6-methoxypyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-amine is sourced from PubChem (CID 6539392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).