N-(2,4-difluorophenyl)-5-morpholin-4-ylpyrido[2,3-d]pyridazin-2-amine

C17H15F2N5O — CID 46205512

IUPACN-(2,4-difluorophenyl)-5-morpholin-4-ylpyrido[2,3-d]pyridazin-2-amine
SMILESFc1ccc(Nc2ccc3c(N4CCOCC4)nncc3n2)c(F)c1
InChIInChI=1S/C17H15F2N5O/c18-11-1-3-14(13(19)9-11)21-16-4-2-12-15(22-16)10-20-23-17(12)24-5-7-25-8-6-24/h1-4,9-10H,5-8H2,(H,21,22)
InChIKeyKYOFTOMECCWPBR-UHFFFAOYSA-N
MW343.34 g/mol
LogP2.88
Rot. Bonds3

About N-(2,4-difluorophenyl)-5-morpholin-4-ylpyrido[2,3-d]pyridazin-2-amine

N-(2,4-difluorophenyl)-5-morpholin-4-ylpyrido[2,3-d]pyridazin-2-amine (PubChem CID 46205512) has the molecular formula C17H15F2N5O and a molecular weight of 343.34 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-5-morpholin-4-ylpyrido[2,3-d]pyridazin-2-amine.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-5-morpholin-4-ylpyrido[2,3-d]pyridazin-2-amine
PubChem CID46205512
Molecular FormulaC17H15F2N5O
Molecular Weight343.34 g/mol
Exact Mass343.12
IUPAC NameN-(2,4-difluorophenyl)-5-morpholin-4-ylpyrido[2,3-d]pyridazin-2-amine
SMILESFc1ccc(Nc2ccc3c(N4CCOCC4)nncc3n2)c(F)c1
InChIInChI=1S/C17H15F2N5O/c18-11-1-3-14(13(19)9-11)21-16-4-2-12-15(22-16)10-20-23-17(12)24-5-7-25-8-6-24/h1-4,9-10H,5-8H2,(H,21,22)
InChIKeyKYOFTOMECCWPBR-UHFFFAOYSA-N
XLogP2.88
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-5-morpholin-4-ylpyrido[2,3-d]pyridazin-2-amine?
The IUPAC name of N-(2,4-difluorophenyl)-5-morpholin-4-ylpyrido[2,3-d]pyridazin-2-amine (CID 46205512) is N-(2,4-difluorophenyl)-5-morpholin-4-ylpyrido[2,3-d]pyridazin-2-amine.
What is the SMILES notation for N-(2,4-difluorophenyl)-5-morpholin-4-ylpyrido[2,3-d]pyridazin-2-amine?
The canonical SMILES for N-(2,4-difluorophenyl)-5-morpholin-4-ylpyrido[2,3-d]pyridazin-2-amine is Fc1ccc(Nc2ccc3c(N4CCOCC4)nncc3n2)c(F)c1.
What is the InChIKey of N-(2,4-difluorophenyl)-5-morpholin-4-ylpyrido[2,3-d]pyridazin-2-amine?
The InChIKey is KYOFTOMECCWPBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N5O/c18-11-1-3-14(13(19)9-11)21-16-4-2-12-15(22-16)10-20-23-17(12)24-5-7-25-8-6-24/h1-4,9-10H,5-8H2,(H,21,22).
What are the key properties of N-(2,4-difluorophenyl)-5-morpholin-4-ylpyrido[2,3-d]pyridazin-2-amine?
N-(2,4-difluorophenyl)-5-morpholin-4-ylpyrido[2,3-d]pyridazin-2-amine has a molecular weight of 343.34 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-5-morpholin-4-ylpyrido[2,3-d]pyridazin-2-amine is sourced from PubChem (CID 46205512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).