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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Related Compounds

N-(2-fluorophenyl)-3-morpholin-4-yl-1,2,4-triazin-5-amine
CID 30298452
5-N-(2,4-difluorophenyl)-3-N-(4-pyrrolidin-1-ylphenyl)-1,2,4-triazine-3,5-diamine
CID 112968928
3-N,5-N-bis(2,4-difluorophenyl)-1,2,4-triazine-3,5-diamine
CID 112969398
5-N-(2-fluorophenyl)-3-N-(2-morpholin-4-ylphenyl)-1,2,4-triazine-3,5-diamine
CID 112965414
N-(2,4-difluorophenyl)-5-[4-(4-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-3-amine
CID 112955660
3-N-(2,4-difluorophenyl)-5-N-(4-pyrrolidin-1-ylphenyl)-1,2,4-triazine-3,5-diamine
CID 112968914
2,4-difluoro-N-[(Z)-(2-morpholin-4-ylquinolin-3-yl)methylideneamino]aniline
CID 9112272
N-(2,4-difluorophenyl)-5-(4-phenylpiperazin-1-yl)-1,2,4-triazin-3-amine
CID 112955512
N-(3-fluorophenyl)-4-morpholin-4-ylquinazolin-2-amine
CID 39861394
2,4-difluoro-N-(4-morpholin-4-ylquinazolin-7-yl)benzamide
CID 53137509
4-N-(2,4-difluorophenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine
CID 112857698
N-(2,4-difluorophenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]-1,2,4-triazin-5-amine
CID 112957323

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).