N-[2-fluoro-5-[(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)methyl]phenyl]-3-methoxypropanamide

C18H21FN4O3 — CID 25003288

IUPACN-[2-fluoro-5-[(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)methyl]phenyl]-3-methoxypropanamide
SMILESCOCCC(=O)Nc1cc(Cc2n[nH]c(=O)c3c2NCCC3)ccc1F
InChIInChI=1S/C18H21FN4O3/c1-26-8-6-16(24)21-14-9-11(4-5-13(14)19)10-15-17-12(3-2-7-20-17)18(25)23-22-15/h4-5,9,20H,2-3,6-8,10H2,1H3,(H,21,24)(H,23,25)
InChIKeyHCXMNLCCKOKFQJ-UHFFFAOYSA-N
MW360.39 g/mol
LogP1.83
Rot. Bonds6

About N-[2-fluoro-5-[(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)methyl]phenyl]-3-methoxypropanamide

N-[2-fluoro-5-[(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)methyl]phenyl]-3-methoxypropanamide (PubChem CID 25003288) has the molecular formula C18H21FN4O3 and a molecular weight of 360.39 g/mol. Its IUPAC name is N-[2-fluoro-5-[(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)methyl]phenyl]-3-methoxypropanamide.

Molecular Properties

Compound NameN-[2-fluoro-5-[(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)methyl]phenyl]-3-methoxypropanamide
PubChem CID25003288
Molecular FormulaC18H21FN4O3
Molecular Weight360.39 g/mol
Exact Mass360.16
IUPAC NameN-[2-fluoro-5-[(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)methyl]phenyl]-3-methoxypropanamide
SMILESCOCCC(=O)Nc1cc(Cc2n[nH]c(=O)c3c2NCCC3)ccc1F
InChIInChI=1S/C18H21FN4O3/c1-26-8-6-16(24)21-14-9-11(4-5-13(14)19)10-15-17-12(3-2-7-20-17)18(25)23-22-15/h4-5,9,20H,2-3,6-8,10H2,1H3,(H,21,24)(H,23,25)
InChIKeyHCXMNLCCKOKFQJ-UHFFFAOYSA-N
XLogP1.83
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-5-[(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)methyl]phenyl]-3-methoxypropanamide?
The IUPAC name of N-[2-fluoro-5-[(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)methyl]phenyl]-3-methoxypropanamide (CID 25003288) is N-[2-fluoro-5-[(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)methyl]phenyl]-3-methoxypropanamide.
What is the SMILES notation for N-[2-fluoro-5-[(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)methyl]phenyl]-3-methoxypropanamide?
The canonical SMILES for N-[2-fluoro-5-[(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)methyl]phenyl]-3-methoxypropanamide is COCCC(=O)Nc1cc(Cc2n[nH]c(=O)c3c2NCCC3)ccc1F.
What is the InChIKey of N-[2-fluoro-5-[(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)methyl]phenyl]-3-methoxypropanamide?
The InChIKey is HCXMNLCCKOKFQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O3/c1-26-8-6-16(24)21-14-9-11(4-5-13(14)19)10-15-17-12(3-2-7-20-17)18(25)23-22-15/h4-5,9,20H,2-3,6-8,10H2,1H3,(H,21,24)(H,23,25).
What are the key properties of N-[2-fluoro-5-[(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)methyl]phenyl]-3-methoxypropanamide?
N-[2-fluoro-5-[(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)methyl]phenyl]-3-methoxypropanamide has a molecular weight of 360.39 g/mol, XLogP of 1.83, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-5-[(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)methyl]phenyl]-3-methoxypropanamide is sourced from PubChem (CID 25003288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).