[6-(chloromethyl)-1,3,4,5-tetrahydropyrrolo[3,2-c]pyridazin-2-yl]-(6-chloropyrazolo[1,5-a]pyridin-2-yl)methanone

C15H13Cl2N5O — CID 68879342

IUPAC[6-(chloromethyl)-1,3,4,5-tetrahydropyrrolo[3,2-c]pyridazin-2-yl]-(6-chloropyrazolo[1,5-a]pyridin-2-yl)methanone
SMILESO=C(c1cc2ccc(Cl)cn2n1)N1CCc2[nH]c(CCl)cc2N1
InChIInChI=1S/C15H13Cl2N5O/c16-7-10-5-13-12(18-10)3-4-21(19-13)15(23)14-6-11-2-1-9(17)8-22(11)20-14/h1-2,5-6,8,18-19H,3-4,7H2
InChIKeyVOYQOEXICWWTBT-UHFFFAOYSA-N
MW350.21 g/mol
LogP3.08
Rot. Bonds2

About [6-(chloromethyl)-1,3,4,5-tetrahydropyrrolo[3,2-c]pyridazin-2-yl]-(6-chloropyrazolo[1,5-a]pyridin-2-yl)methanone

[6-(chloromethyl)-1,3,4,5-tetrahydropyrrolo[3,2-c]pyridazin-2-yl]-(6-chloropyrazolo[1,5-a]pyridin-2-yl)methanone (PubChem CID 68879342) has the molecular formula C15H13Cl2N5O and a molecular weight of 350.21 g/mol. Its IUPAC name is [6-(chloromethyl)-1,3,4,5-tetrahydropyrrolo[3,2-c]pyridazin-2-yl]-(6-chloropyrazolo[1,5-a]pyridin-2-yl)methanone.

Molecular Properties

Compound Name[6-(chloromethyl)-1,3,4,5-tetrahydropyrrolo[3,2-c]pyridazin-2-yl]-(6-chloropyrazolo[1,5-a]pyridin-2-yl)methanone
PubChem CID68879342
Molecular FormulaC15H13Cl2N5O
Molecular Weight350.21 g/mol
Exact Mass349.05
IUPAC Name[6-(chloromethyl)-1,3,4,5-tetrahydropyrrolo[3,2-c]pyridazin-2-yl]-(6-chloropyrazolo[1,5-a]pyridin-2-yl)methanone
SMILESO=C(c1cc2ccc(Cl)cn2n1)N1CCc2[nH]c(CCl)cc2N1
InChIInChI=1S/C15H13Cl2N5O/c16-7-10-5-13-12(18-10)3-4-21(19-13)15(23)14-6-11-2-1-9(17)8-22(11)20-14/h1-2,5-6,8,18-19H,3-4,7H2
InChIKeyVOYQOEXICWWTBT-UHFFFAOYSA-N
XLogP3.08
TPSA65.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.21
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [6-(chloromethyl)-1,3,4,5-tetrahydropyrrolo[3,2-c]pyridazin-2-yl]-(6-chloropyrazolo[1,5-a]pyridin-2-yl)methanone?
The IUPAC name of [6-(chloromethyl)-1,3,4,5-tetrahydropyrrolo[3,2-c]pyridazin-2-yl]-(6-chloropyrazolo[1,5-a]pyridin-2-yl)methanone (CID 68879342) is [6-(chloromethyl)-1,3,4,5-tetrahydropyrrolo[3,2-c]pyridazin-2-yl]-(6-chloropyrazolo[1,5-a]pyridin-2-yl)methanone.
What is the SMILES notation for [6-(chloromethyl)-1,3,4,5-tetrahydropyrrolo[3,2-c]pyridazin-2-yl]-(6-chloropyrazolo[1,5-a]pyridin-2-yl)methanone?
The canonical SMILES for [6-(chloromethyl)-1,3,4,5-tetrahydropyrrolo[3,2-c]pyridazin-2-yl]-(6-chloropyrazolo[1,5-a]pyridin-2-yl)methanone is O=C(c1cc2ccc(Cl)cn2n1)N1CCc2[nH]c(CCl)cc2N1.
What is the InChIKey of [6-(chloromethyl)-1,3,4,5-tetrahydropyrrolo[3,2-c]pyridazin-2-yl]-(6-chloropyrazolo[1,5-a]pyridin-2-yl)methanone?
The InChIKey is VOYQOEXICWWTBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N5O/c16-7-10-5-13-12(18-10)3-4-21(19-13)15(23)14-6-11-2-1-9(17)8-22(11)20-14/h1-2,5-6,8,18-19H,3-4,7H2.
What are the key properties of [6-(chloromethyl)-1,3,4,5-tetrahydropyrrolo[3,2-c]pyridazin-2-yl]-(6-chloropyrazolo[1,5-a]pyridin-2-yl)methanone?
[6-(chloromethyl)-1,3,4,5-tetrahydropyrrolo[3,2-c]pyridazin-2-yl]-(6-chloropyrazolo[1,5-a]pyridin-2-yl)methanone has a molecular weight of 350.21 g/mol, XLogP of 3.08, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(chloromethyl)-1,3,4,5-tetrahydropyrrolo[3,2-c]pyridazin-2-yl]-(6-chloropyrazolo[1,5-a]pyridin-2-yl)methanone is sourced from PubChem (CID 68879342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).