6-[4-(5-fluoropyrimidin-4-yl)-1,4-diazepan-1-yl]imidazo[1,2-b]pyridazine

C15H16FN7 — CID 163344366

IUPAC6-[4-(5-fluoropyrimidin-4-yl)-1,4-diazepan-1-yl]imidazo[1,2-b]pyridazine
SMILESFc1cncnc1N1CCCN(c2ccc3nccn3n2)CC1
InChIInChI=1S/C15H16FN7/c16-12-10-17-11-19-15(12)22-6-1-5-21(8-9-22)14-3-2-13-18-4-7-23(13)20-14/h2-4,7,10-11H,1,5-6,8-9H2
InChIKeyMEXGHTOTZAZGJR-UHFFFAOYSA-N
MW313.34 g/mol
LogP1.38
Rot. Bonds2

About 6-[4-(5-fluoropyrimidin-4-yl)-1,4-diazepan-1-yl]imidazo[1,2-b]pyridazine

6-[4-(5-fluoropyrimidin-4-yl)-1,4-diazepan-1-yl]imidazo[1,2-b]pyridazine (PubChem CID 163344366) has the molecular formula C15H16FN7 and a molecular weight of 313.34 g/mol. Its IUPAC name is 6-[4-(5-fluoropyrimidin-4-yl)-1,4-diazepan-1-yl]imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name6-[4-(5-fluoropyrimidin-4-yl)-1,4-diazepan-1-yl]imidazo[1,2-b]pyridazine
PubChem CID163344366
Molecular FormulaC15H16FN7
Molecular Weight313.34 g/mol
Exact Mass313.15
IUPAC Name6-[4-(5-fluoropyrimidin-4-yl)-1,4-diazepan-1-yl]imidazo[1,2-b]pyridazine
SMILESFc1cncnc1N1CCCN(c2ccc3nccn3n2)CC1
InChIInChI=1S/C15H16FN7/c16-12-10-17-11-19-15(12)22-6-1-5-21(8-9-22)14-3-2-13-18-4-7-23(13)20-14/h2-4,7,10-11H,1,5-6,8-9H2
InChIKeyMEXGHTOTZAZGJR-UHFFFAOYSA-N
XLogP1.38
TPSA62.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.34
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(5-fluoropyrimidin-4-yl)-1,4-diazepan-1-yl]imidazo[1,2-b]pyridazine?
The IUPAC name of 6-[4-(5-fluoropyrimidin-4-yl)-1,4-diazepan-1-yl]imidazo[1,2-b]pyridazine (CID 163344366) is 6-[4-(5-fluoropyrimidin-4-yl)-1,4-diazepan-1-yl]imidazo[1,2-b]pyridazine.
What is the SMILES notation for 6-[4-(5-fluoropyrimidin-4-yl)-1,4-diazepan-1-yl]imidazo[1,2-b]pyridazine?
The canonical SMILES for 6-[4-(5-fluoropyrimidin-4-yl)-1,4-diazepan-1-yl]imidazo[1,2-b]pyridazine is Fc1cncnc1N1CCCN(c2ccc3nccn3n2)CC1.
What is the InChIKey of 6-[4-(5-fluoropyrimidin-4-yl)-1,4-diazepan-1-yl]imidazo[1,2-b]pyridazine?
The InChIKey is MEXGHTOTZAZGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN7/c16-12-10-17-11-19-15(12)22-6-1-5-21(8-9-22)14-3-2-13-18-4-7-23(13)20-14/h2-4,7,10-11H,1,5-6,8-9H2.
What are the key properties of 6-[4-(5-fluoropyrimidin-4-yl)-1,4-diazepan-1-yl]imidazo[1,2-b]pyridazine?
6-[4-(5-fluoropyrimidin-4-yl)-1,4-diazepan-1-yl]imidazo[1,2-b]pyridazine has a molecular weight of 313.34 g/mol, XLogP of 1.38, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(5-fluoropyrimidin-4-yl)-1,4-diazepan-1-yl]imidazo[1,2-b]pyridazine is sourced from PubChem (CID 163344366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).