4-(3-fluoropiperidin-1-yl)-6-(4-methoxy-2-pentan-3-yloxypyrimidin-5-yl)-3-pentan-3-ylpyridazine

C24H36FN5O2 — CID 165128864

IUPAC4-(3-fluoropiperidin-1-yl)-6-(4-methoxy-2-pentan-3-yloxypyrimidin-5-yl)-3-pentan-3-ylpyridazine
SMILESCCC(CC)Oc1ncc(-c2cc(N3CCCC(F)C3)c(C(CC)CC)nn2)c(OC)n1
InChIInChI=1S/C24H36FN5O2/c1-6-16(7-2)22-21(30-12-10-11-17(25)15-30)13-20(28-29-22)19-14-26-24(27-23(19)31-5)32-18(8-3)9-4/h13-14,16-18H,6-12,15H2,1-5H3
InChIKeySWLBQTHMRATIQF-UHFFFAOYSA-N
MW445.58 g/mol
LogP5.35
Rot. Bonds10

About 4-(3-fluoropiperidin-1-yl)-6-(4-methoxy-2-pentan-3-yloxypyrimidin-5-yl)-3-pentan-3-ylpyridazine

4-(3-fluoropiperidin-1-yl)-6-(4-methoxy-2-pentan-3-yloxypyrimidin-5-yl)-3-pentan-3-ylpyridazine (PubChem CID 165128864) has the molecular formula C24H36FN5O2 and a molecular weight of 445.58 g/mol. Its IUPAC name is 4-(3-fluoropiperidin-1-yl)-6-(4-methoxy-2-pentan-3-yloxypyrimidin-5-yl)-3-pentan-3-ylpyridazine.

Molecular Properties

Compound Name4-(3-fluoropiperidin-1-yl)-6-(4-methoxy-2-pentan-3-yloxypyrimidin-5-yl)-3-pentan-3-ylpyridazine
PubChem CID165128864
Molecular FormulaC24H36FN5O2
Molecular Weight445.58 g/mol
Exact Mass445.29
IUPAC Name4-(3-fluoropiperidin-1-yl)-6-(4-methoxy-2-pentan-3-yloxypyrimidin-5-yl)-3-pentan-3-ylpyridazine
SMILESCCC(CC)Oc1ncc(-c2cc(N3CCCC(F)C3)c(C(CC)CC)nn2)c(OC)n1
InChIInChI=1S/C24H36FN5O2/c1-6-16(7-2)22-21(30-12-10-11-17(25)15-30)13-20(28-29-22)19-14-26-24(27-23(19)31-5)32-18(8-3)9-4/h13-14,16-18H,6-12,15H2,1-5H3
InChIKeySWLBQTHMRATIQF-UHFFFAOYSA-N
XLogP5.35
TPSA73.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.58
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6-(2,4-dimethoxypyrimidin-5-yl)-4-pyrrolidin-1-ylpyridazine-3-carbonitrile
CID 163274093
methyl 6-(2,4-dimethoxypyrimidin-5-yl)-4-pyrrolidin-1-ylpyridazine-3-carboxylate
CID 163274123
3-chloro-6-(2,4-dimethoxypyrimidin-5-yl)-4-[(1S,2S)-2-[(1S)-1-fluoroethyl]cyclopropyl]pyridazine
CID 163289431
6-(2,4-dimethoxypyrimidin-5-yl)-4-[(1S,2S)-2-ethylcyclopropyl]pyridazin-3-amine
CID 172834022
2,4-dimethoxy-5-[5-methyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazin-3-yl]pyrimidine
CID 71460489
5-[5-[(1S,2S)-2-(fluoromethyl)cyclopropyl]-6-methylpyridazin-3-yl]-2,4-dimethoxypyrimidine
CID 163289385
8-(3-cyclobutylazetidin-1-yl)-6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazine
CID 157033692
2,4-dimethoxy-5-[6-methoxy-5-[(1S,2R)-2-propan-2-ylcyclopropyl]pyridazin-3-yl]pyrimidine
CID 167110237
2-(3-fluoropiperidin-1-yl)-4-methoxypyrimidine
CID 171701610
8-(3-cyclopropylazetidin-1-yl)-6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazine
CID 157033726
3-but-1-ynyl-4-[(1S,2S)-2-(difluoromethyl)cyclopropyl]-6-(2,4-dimethoxypyrimidin-5-yl)pyridazine
CID 163289230
6-(2,4-dimethoxypyrimidin-5-yl)-8-[3-(4-methoxyphenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine
CID 157034854

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoropiperidin-1-yl)-6-(4-methoxy-2-pentan-3-yloxypyrimidin-5-yl)-3-pentan-3-ylpyridazine?
The IUPAC name of 4-(3-fluoropiperidin-1-yl)-6-(4-methoxy-2-pentan-3-yloxypyrimidin-5-yl)-3-pentan-3-ylpyridazine (CID 165128864) is 4-(3-fluoropiperidin-1-yl)-6-(4-methoxy-2-pentan-3-yloxypyrimidin-5-yl)-3-pentan-3-ylpyridazine.
What is the SMILES notation for 4-(3-fluoropiperidin-1-yl)-6-(4-methoxy-2-pentan-3-yloxypyrimidin-5-yl)-3-pentan-3-ylpyridazine?
The canonical SMILES for 4-(3-fluoropiperidin-1-yl)-6-(4-methoxy-2-pentan-3-yloxypyrimidin-5-yl)-3-pentan-3-ylpyridazine is CCC(CC)Oc1ncc(-c2cc(N3CCCC(F)C3)c(C(CC)CC)nn2)c(OC)n1.
What is the InChIKey of 4-(3-fluoropiperidin-1-yl)-6-(4-methoxy-2-pentan-3-yloxypyrimidin-5-yl)-3-pentan-3-ylpyridazine?
The InChIKey is SWLBQTHMRATIQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36FN5O2/c1-6-16(7-2)22-21(30-12-10-11-17(25)15-30)13-20(28-29-22)19-14-26-24(27-23(19)31-5)32-18(8-3)9-4/h13-14,16-18H,6-12,15H2,1-5H3.
What are the key properties of 4-(3-fluoropiperidin-1-yl)-6-(4-methoxy-2-pentan-3-yloxypyrimidin-5-yl)-3-pentan-3-ylpyridazine?
4-(3-fluoropiperidin-1-yl)-6-(4-methoxy-2-pentan-3-yloxypyrimidin-5-yl)-3-pentan-3-ylpyridazine has a molecular weight of 445.58 g/mol, XLogP of 5.35, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoropiperidin-1-yl)-6-(4-methoxy-2-pentan-3-yloxypyrimidin-5-yl)-3-pentan-3-ylpyridazine is sourced from PubChem (CID 165128864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).