5-(3-chloroimidazo[1,2-b]pyridazin-6-yl)-N-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine

C15H14ClN7 — CID 168772247

IUPAC5-(3-chloroimidazo[1,2-b]pyridazin-6-yl)-N-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCC(C)Nc1ncc2c(-c3ccc4ncc(Cl)n4n3)c[nH]c2n1
InChIInChI=1S/C15H14ClN7/c1-8(2)20-15-19-6-10-9(5-18-14(10)21-15)11-3-4-13-17-7-12(16)23(13)22-11/h3-8H,1-2H3,(H2,18,19,20,21)
InChIKeyOAMXJAOJXHPKGR-UHFFFAOYSA-N
MW327.78 g/mol
LogP3.14
Rot. Bonds3

About 5-(3-chloroimidazo[1,2-b]pyridazin-6-yl)-N-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine

5-(3-chloroimidazo[1,2-b]pyridazin-6-yl)-N-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 168772247) has the molecular formula C15H14ClN7 and a molecular weight of 327.78 g/mol. Its IUPAC name is 5-(3-chloroimidazo[1,2-b]pyridazin-6-yl)-N-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name5-(3-chloroimidazo[1,2-b]pyridazin-6-yl)-N-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine
PubChem CID168772247
Molecular FormulaC15H14ClN7
Molecular Weight327.78 g/mol
Exact Mass327.10
IUPAC Name5-(3-chloroimidazo[1,2-b]pyridazin-6-yl)-N-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCC(C)Nc1ncc2c(-c3ccc4ncc(Cl)n4n3)c[nH]c2n1
InChIInChI=1S/C15H14ClN7/c1-8(2)20-15-19-6-10-9(5-18-14(10)21-15)11-3-4-13-17-7-12(16)23(13)22-11/h3-8H,1-2H3,(H2,18,19,20,21)
InChIKeyOAMXJAOJXHPKGR-UHFFFAOYSA-N
XLogP3.14
TPSA83.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.78
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chloroimidazo[1,2-b]pyridazin-6-yl)-N-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The IUPAC name of 5-(3-chloroimidazo[1,2-b]pyridazin-6-yl)-N-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine (CID 168772247) is 5-(3-chloroimidazo[1,2-b]pyridazin-6-yl)-N-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 5-(3-chloroimidazo[1,2-b]pyridazin-6-yl)-N-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 5-(3-chloroimidazo[1,2-b]pyridazin-6-yl)-N-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine is CC(C)Nc1ncc2c(-c3ccc4ncc(Cl)n4n3)c[nH]c2n1.
What is the InChIKey of 5-(3-chloroimidazo[1,2-b]pyridazin-6-yl)-N-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The InChIKey is OAMXJAOJXHPKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN7/c1-8(2)20-15-19-6-10-9(5-18-14(10)21-15)11-3-4-13-17-7-12(16)23(13)22-11/h3-8H,1-2H3,(H2,18,19,20,21).
What are the key properties of 5-(3-chloroimidazo[1,2-b]pyridazin-6-yl)-N-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
5-(3-chloroimidazo[1,2-b]pyridazin-6-yl)-N-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine has a molecular weight of 327.78 g/mol, XLogP of 3.14, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloroimidazo[1,2-b]pyridazin-6-yl)-N-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 168772247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).