4-(3-chloroimidazo[1,2-b]pyridazin-6-yl)-N-[(1-fluorocyclobutyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine

C17H15ClFN7 — CID 175879516

IUPAC4-(3-chloroimidazo[1,2-b]pyridazin-6-yl)-N-[(1-fluorocyclobutyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
SMILESFC1(CNc2nc(-c3ccc4ncc(Cl)n4n3)c3cc[nH]c3n2)CCC1
InChIInChI=1S/C17H15ClFN7/c18-12-8-21-13-3-2-11(25-26(12)13)14-10-4-7-20-15(10)24-16(23-14)22-9-17(19)5-1-6-17/h2-4,7-8H,1,5-6,9H2,(H2,20,22,23,24)
InChIKeyJGEHCKAQUDRYRX-UHFFFAOYSA-N
MW371.81 g/mol
LogP3.63
Rot. Bonds4

About 4-(3-chloroimidazo[1,2-b]pyridazin-6-yl)-N-[(1-fluorocyclobutyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine

4-(3-chloroimidazo[1,2-b]pyridazin-6-yl)-N-[(1-fluorocyclobutyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 175879516) has the molecular formula C17H15ClFN7 and a molecular weight of 371.81 g/mol. Its IUPAC name is 4-(3-chloroimidazo[1,2-b]pyridazin-6-yl)-N-[(1-fluorocyclobutyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(3-chloroimidazo[1,2-b]pyridazin-6-yl)-N-[(1-fluorocyclobutyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
PubChem CID175879516
Molecular FormulaC17H15ClFN7
Molecular Weight371.81 g/mol
Exact Mass371.11
IUPAC Name4-(3-chloroimidazo[1,2-b]pyridazin-6-yl)-N-[(1-fluorocyclobutyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
SMILESFC1(CNc2nc(-c3ccc4ncc(Cl)n4n3)c3cc[nH]c3n2)CCC1
InChIInChI=1S/C17H15ClFN7/c18-12-8-21-13-3-2-11(25-26(12)13)14-10-4-7-20-15(10)24-16(23-14)22-9-17(19)5-1-6-17/h2-4,7-8H,1,5-6,9H2,(H2,20,22,23,24)
InChIKeyJGEHCKAQUDRYRX-UHFFFAOYSA-N
XLogP3.63
TPSA83.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.81
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chloroimidazo[1,2-b]pyridazin-6-yl)-N-[(1-fluorocyclobutyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The IUPAC name of 4-(3-chloroimidazo[1,2-b]pyridazin-6-yl)-N-[(1-fluorocyclobutyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine (CID 175879516) is 4-(3-chloroimidazo[1,2-b]pyridazin-6-yl)-N-[(1-fluorocyclobutyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 4-(3-chloroimidazo[1,2-b]pyridazin-6-yl)-N-[(1-fluorocyclobutyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 4-(3-chloroimidazo[1,2-b]pyridazin-6-yl)-N-[(1-fluorocyclobutyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine is FC1(CNc2nc(-c3ccc4ncc(Cl)n4n3)c3cc[nH]c3n2)CCC1.
What is the InChIKey of 4-(3-chloroimidazo[1,2-b]pyridazin-6-yl)-N-[(1-fluorocyclobutyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The InChIKey is JGEHCKAQUDRYRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFN7/c18-12-8-21-13-3-2-11(25-26(12)13)14-10-4-7-20-15(10)24-16(23-14)22-9-17(19)5-1-6-17/h2-4,7-8H,1,5-6,9H2,(H2,20,22,23,24).
What are the key properties of 4-(3-chloroimidazo[1,2-b]pyridazin-6-yl)-N-[(1-fluorocyclobutyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
4-(3-chloroimidazo[1,2-b]pyridazin-6-yl)-N-[(1-fluorocyclobutyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine has a molecular weight of 371.81 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloroimidazo[1,2-b]pyridazin-6-yl)-N-[(1-fluorocyclobutyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 175879516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).