1-chloro-N-[1-(2-fluoroethyl)piperidin-3-yl]pyrido[3,4-d]pyridazin-4-amine

C14H17ClFN5 — CID 170165910

IUPAC1-chloro-N-[1-(2-fluoroethyl)piperidin-3-yl]pyrido[3,4-d]pyridazin-4-amine
SMILESFCCN1CCCC(Nc2nnc(Cl)c3ccncc23)C1
InChIInChI=1S/C14H17ClFN5/c15-13-11-3-5-17-8-12(11)14(20-19-13)18-10-2-1-6-21(9-10)7-4-16/h3,5,8,10H,1-2,4,6-7,9H2,(H,18,20)
InChIKeyPLCCILHYICTETQ-UHFFFAOYSA-N
MW309.78 g/mol
LogP2.52
Rot. Bonds4

About 1-chloro-N-[1-(2-fluoroethyl)piperidin-3-yl]pyrido[3,4-d]pyridazin-4-amine

1-chloro-N-[1-(2-fluoroethyl)piperidin-3-yl]pyrido[3,4-d]pyridazin-4-amine (PubChem CID 170165910) has the molecular formula C14H17ClFN5 and a molecular weight of 309.78 g/mol. Its IUPAC name is 1-chloro-N-[1-(2-fluoroethyl)piperidin-3-yl]pyrido[3,4-d]pyridazin-4-amine.

Molecular Properties

Compound Name1-chloro-N-[1-(2-fluoroethyl)piperidin-3-yl]pyrido[3,4-d]pyridazin-4-amine
PubChem CID170165910
Molecular FormulaC14H17ClFN5
Molecular Weight309.78 g/mol
Exact Mass309.12
IUPAC Name1-chloro-N-[1-(2-fluoroethyl)piperidin-3-yl]pyrido[3,4-d]pyridazin-4-amine
SMILESFCCN1CCCC(Nc2nnc(Cl)c3ccncc23)C1
InChIInChI=1S/C14H17ClFN5/c15-13-11-3-5-17-8-12(11)14(20-19-13)18-10-2-1-6-21(9-10)7-4-16/h3,5,8,10H,1-2,4,6-7,9H2,(H,18,20)
InChIKeyPLCCILHYICTETQ-UHFFFAOYSA-N
XLogP2.52
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.78
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-[1-(2-fluoroethyl)piperidin-3-yl]pyrido[3,4-d]pyridazin-4-amine?
The IUPAC name of 1-chloro-N-[1-(2-fluoroethyl)piperidin-3-yl]pyrido[3,4-d]pyridazin-4-amine (CID 170165910) is 1-chloro-N-[1-(2-fluoroethyl)piperidin-3-yl]pyrido[3,4-d]pyridazin-4-amine.
What is the SMILES notation for 1-chloro-N-[1-(2-fluoroethyl)piperidin-3-yl]pyrido[3,4-d]pyridazin-4-amine?
The canonical SMILES for 1-chloro-N-[1-(2-fluoroethyl)piperidin-3-yl]pyrido[3,4-d]pyridazin-4-amine is FCCN1CCCC(Nc2nnc(Cl)c3ccncc23)C1.
What is the InChIKey of 1-chloro-N-[1-(2-fluoroethyl)piperidin-3-yl]pyrido[3,4-d]pyridazin-4-amine?
The InChIKey is PLCCILHYICTETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFN5/c15-13-11-3-5-17-8-12(11)14(20-19-13)18-10-2-1-6-21(9-10)7-4-16/h3,5,8,10H,1-2,4,6-7,9H2,(H,18,20).
What are the key properties of 1-chloro-N-[1-(2-fluoroethyl)piperidin-3-yl]pyrido[3,4-d]pyridazin-4-amine?
1-chloro-N-[1-(2-fluoroethyl)piperidin-3-yl]pyrido[3,4-d]pyridazin-4-amine has a molecular weight of 309.78 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-[1-(2-fluoroethyl)piperidin-3-yl]pyrido[3,4-d]pyridazin-4-amine is sourced from PubChem (CID 170165910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).