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

C15H13Cl2N5O — CID 68879341

IUPAC(6-chloro-4-methyl-1,3,4,5-tetrahydropyrrolo[3,2-c]pyridazin-2-yl)-(6-chloropyrazolo[1,5-a]pyridin-2-yl)methanone
SMILESCC1CN(C(=O)c2cc3ccc(Cl)cn3n2)Nc2cc(Cl)[nH]c21
InChIInChI=1S/C15H13Cl2N5O/c1-8-6-22(19-11-5-13(17)18-14(8)11)15(23)12-4-10-3-2-9(16)7-21(10)20-12/h2-5,7-8,18-19H,6H2,1H3
InChIKeyKMKXZIYRRCBYQG-UHFFFAOYSA-N
MW350.21 g/mol
LogP3.56
Rot. Bonds1

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

(6-chloro-4-methyl-1,3,4,5-tetrahydropyrrolo[3,2-c]pyridazin-2-yl)-(6-chloropyrazolo[1,5-a]pyridin-2-yl)methanone (PubChem CID 68879341) has the molecular formula C15H13Cl2N5O and a molecular weight of 350.21 g/mol. Its IUPAC name is (6-chloro-4-methyl-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-chloro-4-methyl-1,3,4,5-tetrahydropyrrolo[3,2-c]pyridazin-2-yl)-(6-chloropyrazolo[1,5-a]pyridin-2-yl)methanone
PubChem CID68879341
Molecular FormulaC15H13Cl2N5O
Molecular Weight350.21 g/mol
Exact Mass349.05
IUPAC Name(6-chloro-4-methyl-1,3,4,5-tetrahydropyrrolo[3,2-c]pyridazin-2-yl)-(6-chloropyrazolo[1,5-a]pyridin-2-yl)methanone
SMILESCC1CN(C(=O)c2cc3ccc(Cl)cn3n2)Nc2cc(Cl)[nH]c21
InChIInChI=1S/C15H13Cl2N5O/c1-8-6-22(19-11-5-13(17)18-14(8)11)15(23)12-4-10-3-2-9(16)7-21(10)20-12/h2-5,7-8,18-19H,6H2,1H3
InChIKeyKMKXZIYRRCBYQG-UHFFFAOYSA-N
XLogP3.56
TPSA65.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.21
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (6-chloro-4-methyl-1,3,4,5-tetrahydropyrrolo[3,2-c]pyridazin-2-yl)-(6-chloropyrazolo[1,5-a]pyridin-2-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6-chloro-4-methyl-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-chloro-4-methyl-1,3,4,5-tetrahydropyrrolo[3,2-c]pyridazin-2-yl)-(6-chloropyrazolo[1,5-a]pyridin-2-yl)methanone (CID 68879341) is (6-chloro-4-methyl-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-chloro-4-methyl-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-chloro-4-methyl-1,3,4,5-tetrahydropyrrolo[3,2-c]pyridazin-2-yl)-(6-chloropyrazolo[1,5-a]pyridin-2-yl)methanone is CC1CN(C(=O)c2cc3ccc(Cl)cn3n2)Nc2cc(Cl)[nH]c21.
What is the InChIKey of (6-chloro-4-methyl-1,3,4,5-tetrahydropyrrolo[3,2-c]pyridazin-2-yl)-(6-chloropyrazolo[1,5-a]pyridin-2-yl)methanone?
The InChIKey is KMKXZIYRRCBYQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N5O/c1-8-6-22(19-11-5-13(17)18-14(8)11)15(23)12-4-10-3-2-9(16)7-21(10)20-12/h2-5,7-8,18-19H,6H2,1H3.
What are the key properties of (6-chloro-4-methyl-1,3,4,5-tetrahydropyrrolo[3,2-c]pyridazin-2-yl)-(6-chloropyrazolo[1,5-a]pyridin-2-yl)methanone?
(6-chloro-4-methyl-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 3.56, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-4-methyl-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 68879341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).