5-[[5-[1-(3,3-difluoroazetidin-1-yl)-2-methylpropan-2-yl]oxy-2-pyridinyl]amino]-3-methyl-1H-pyridazin-6-one

C17H21F2N5O2 — CID 144587640

IUPAC5-[[5-[1-(3,3-difluoroazetidin-1-yl)-2-methylpropan-2-yl]oxy-2-pyridinyl]amino]-3-methyl-1H-pyridazin-6-one
SMILESCc1cc(Nc2ccc(OC(C)(C)CN3CC(F)(F)C3)cn2)c(=O)[nH]n1
InChIInChI=1S/C17H21F2N5O2/c1-11-6-13(15(25)23-22-11)21-14-5-4-12(7-20-14)26-16(2,3)8-24-9-17(18,19)10-24/h4-7H,8-10H2,1-3H3,(H,23,25)(H,20,21,22)
InChIKeyLUHNUPUUMBXIAN-UHFFFAOYSA-N
MW365.38 g/mol
LogP2.33
Rot. Bonds6

About 5-[[5-[1-(3,3-difluoroazetidin-1-yl)-2-methylpropan-2-yl]oxy-2-pyridinyl]amino]-3-methyl-1H-pyridazin-6-one

5-[[5-[1-(3,3-difluoroazetidin-1-yl)-2-methylpropan-2-yl]oxy-2-pyridinyl]amino]-3-methyl-1H-pyridazin-6-one (PubChem CID 144587640) has the molecular formula C17H21F2N5O2 and a molecular weight of 365.38 g/mol. Its IUPAC name is 5-[[5-[1-(3,3-difluoroazetidin-1-yl)-2-methylpropan-2-yl]oxy-2-pyridinyl]amino]-3-methyl-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-[[5-[1-(3,3-difluoroazetidin-1-yl)-2-methylpropan-2-yl]oxy-2-pyridinyl]amino]-3-methyl-1H-pyridazin-6-one
PubChem CID144587640
Molecular FormulaC17H21F2N5O2
Molecular Weight365.38 g/mol
Exact Mass365.17
IUPAC Name5-[[5-[1-(3,3-difluoroazetidin-1-yl)-2-methylpropan-2-yl]oxy-2-pyridinyl]amino]-3-methyl-1H-pyridazin-6-one
SMILESCc1cc(Nc2ccc(OC(C)(C)CN3CC(F)(F)C3)cn2)c(=O)[nH]n1
InChIInChI=1S/C17H21F2N5O2/c1-11-6-13(15(25)23-22-11)21-14-5-4-12(7-20-14)26-16(2,3)8-24-9-17(18,19)10-24/h4-7H,8-10H2,1-3H3,(H,23,25)(H,20,21,22)
InChIKeyLUHNUPUUMBXIAN-UHFFFAOYSA-N
XLogP2.33
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.38
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[[5-[1-(3,3-difluoroazetidin-1-yl)-2-methylpropan-2-yl]oxy-2-pyridinyl]amino]-3-methyl-1H-pyridazin-6-one with MolForge

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Launch Full Analysis

Related Compounds

N-[5-(4-fluorophenoxy)-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 53569837
6-Chloro-4-{5-[2-(3,3-difluoro-azetidin-1-yl)-1,1-dimethyl-ethoxy]-pyridin-2-ylamino}-2-methyl-2H-pyridazin-3-one
CID 86676936
4-[[5-[1-(3,3-Difluoroazetidin-1-yl)-2-methylpropan-2-yl]oxy-2-pyridinyl]amino]-2,6-dimethylpyridazin-3-one
CID 129145791
N-[2,2-difluoro-3-[6-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyridin-3-yl]oxypropyl]-2-methylpropan-2-amine
CID 134488835
1-(3-Fluoro-5-methoxy-2-pyridinyl)-3-(propan-2-ylamino)pyridin-2-one
CID 137457663
N-[5-(3-fluorophenoxy)-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 139521777
N-[5-(3,5-difluorophenoxy)-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 139522109
N-[5-(2,4-difluorophenoxy)-4-[1-methyl-5-(methylamino)-6-oxo-3-pyridinyl]-2-pyridinyl]prop-2-enamide
CID 146575549
6-methyl-N-(5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl)-4-oxo-1-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide
CID 156391424
6-methyl-N-(5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl)-4-oxo-1-(2,2,3,3,3-pentafluoropropyl)pyridazine-3-carboxamide
CID 156391487
6-Chloro-4-[[5-[1-(3,3-difluoroazetidin-1-yl)-2-methylpropan-2-yl]oxy-2-pyridinyl]amino]-2-methylpyridazin-3-one;2-[[6-[(6-chloro-2-methyl-3-oxopyridazin-4-yl)amino]-3-pyridinyl]oxy]-2-methylpropanal
CID 159844518
N-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[3,3-difluoro-4-(6-oxo-1H-pyridin-3-yl)pyrrolidin-1-yl]propanamide
CID 163237721

Frequently Asked Questions

What is the IUPAC name of 5-[[5-[1-(3,3-difluoroazetidin-1-yl)-2-methylpropan-2-yl]oxy-2-pyridinyl]amino]-3-methyl-1H-pyridazin-6-one?
The IUPAC name of 5-[[5-[1-(3,3-difluoroazetidin-1-yl)-2-methylpropan-2-yl]oxy-2-pyridinyl]amino]-3-methyl-1H-pyridazin-6-one (CID 144587640) is 5-[[5-[1-(3,3-difluoroazetidin-1-yl)-2-methylpropan-2-yl]oxy-2-pyridinyl]amino]-3-methyl-1H-pyridazin-6-one.
What is the SMILES notation for 5-[[5-[1-(3,3-difluoroazetidin-1-yl)-2-methylpropan-2-yl]oxy-2-pyridinyl]amino]-3-methyl-1H-pyridazin-6-one?
The canonical SMILES for 5-[[5-[1-(3,3-difluoroazetidin-1-yl)-2-methylpropan-2-yl]oxy-2-pyridinyl]amino]-3-methyl-1H-pyridazin-6-one is Cc1cc(Nc2ccc(OC(C)(C)CN3CC(F)(F)C3)cn2)c(=O)[nH]n1.
What is the InChIKey of 5-[[5-[1-(3,3-difluoroazetidin-1-yl)-2-methylpropan-2-yl]oxy-2-pyridinyl]amino]-3-methyl-1H-pyridazin-6-one?
The InChIKey is LUHNUPUUMBXIAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F2N5O2/c1-11-6-13(15(25)23-22-11)21-14-5-4-12(7-20-14)26-16(2,3)8-24-9-17(18,19)10-24/h4-7H,8-10H2,1-3H3,(H,23,25)(H,20,21,22).
What are the key properties of 5-[[5-[1-(3,3-difluoroazetidin-1-yl)-2-methylpropan-2-yl]oxy-2-pyridinyl]amino]-3-methyl-1H-pyridazin-6-one?
5-[[5-[1-(3,3-difluoroazetidin-1-yl)-2-methylpropan-2-yl]oxy-2-pyridinyl]amino]-3-methyl-1H-pyridazin-6-one has a molecular weight of 365.38 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-[1-(3,3-difluoroazetidin-1-yl)-2-methylpropan-2-yl]oxy-2-pyridinyl]amino]-3-methyl-1H-pyridazin-6-one is sourced from PubChem (CID 144587640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).