2-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]propan-2-ol;methyl 6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazine-3-carboxylate

C33H38F2N8O3 — CID 161332730

IUPAC2-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]propan-2-ol;methyl 6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazine-3-carboxylate
SMILESCC(C)(O)c1ccc(NCC2(c3ncccc3F)CCC2)nn1.COC(=O)c1ccc(NCC2(c3ncccc3F)CCC2)nn1
InChIInChI=1S/C17H21FN4O.C16H17FN4O2/c1-16(2,23)13-6-7-14(22-21-13)20-11-17(8-4-9-17)15-12(18)5-3-10-19-15;1-23-15(22)12-5-6-13(21-20-12)19-10-16(7-3-8-16)14-11(17)4-2-9-18-14/h3,5-7,10,23H,4,8-9,11H2,1-2H3,(H,20,22);2,4-6,9H,3,7-8,10H2,1H3,(H,19,21)
InChIKeyVLQDKUDTUSTFIW-UHFFFAOYSA-N
MW632.72 g/mol
LogP5.10
Rot. Bonds10

About 2-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]propan-2-ol;methyl 6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazine-3-carboxylate

2-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]propan-2-ol;methyl 6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazine-3-carboxylate (PubChem CID 161332730) has the molecular formula C33H38F2N8O3 and a molecular weight of 632.72 g/mol. Its IUPAC name is 2-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]propan-2-ol;methyl 6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazine-3-carboxylate.

Molecular Properties

Compound Name2-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]propan-2-ol;methyl 6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazine-3-carboxylate
PubChem CID161332730
Molecular FormulaC33H38F2N8O3
Molecular Weight632.72 g/mol
Exact Mass632.30
IUPAC Name2-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]propan-2-ol;methyl 6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazine-3-carboxylate
SMILESCC(C)(O)c1ccc(NCC2(c3ncccc3F)CCC2)nn1.COC(=O)c1ccc(NCC2(c3ncccc3F)CCC2)nn1
InChIInChI=1S/C17H21FN4O.C16H17FN4O2/c1-16(2,23)13-6-7-14(22-21-13)20-11-17(8-4-9-17)15-12(18)5-3-10-19-15;1-23-15(22)12-5-6-13(21-20-12)19-10-16(7-3-8-16)14-11(17)4-2-9-18-14/h3,5-7,10,23H,4,8-9,11H2,1-2H3,(H,20,22);2,4-6,9H,3,7-8,10H2,1H3,(H,19,21)
InChIKeyVLQDKUDTUSTFIW-UHFFFAOYSA-N
XLogP5.10
TPSA147.93 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms46
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500632.72
LogP ≤ 55.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze 2-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]propan-2-ol;methyl 6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazine-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

methyl 2-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]-1-methylimidazole-4-carboxylate
CID 67453912
ethyl 2-[[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazine-3-carbonyl]amino]-1,3-thiazole-5-carboxylate
CID 88899815
6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-N-(5-methyl-1H-imidazol-4-yl)pyridazine-3-carboxamide
CID 131981908
6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-N-(1,3-thiazol-2-yl)pyridazine-3-carboxamide
CID 88899569
2-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]cyclopropane-1-carboxamide
CID 77432036
[2-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]-1,3-oxazol-4-yl] methyl carbonate
CID 121281412
6-(2-chloro-3-pyridinyl)-N-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methyl]pyridazin-3-amine;N-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methyl]-6-(2-methoxy-3-pyridinyl)pyridazin-3-amine
CID 159158984
ethyl 2-[5-[[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]-formylamino]-1,3,4-thiadiazol-2-yl]acetate
CID 118498140
methyl 6-[(1-methylcyclopentyl)methylamino]pyridazine-3-carboxylate
CID 63823251
3-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]-3,4-dihydro-1,2,4-triazol-5-one
CID 77431981
methyl 6-[(1-methylcyclopropyl)methylamino]pyridazine-3-carboxylate
CID 103724936
amino-[3-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]-1H-pyrazol-5-yl]methanol
CID 123726192

Frequently Asked Questions

What is the IUPAC name of 2-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]propan-2-ol;methyl 6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazine-3-carboxylate?
The IUPAC name of 2-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]propan-2-ol;methyl 6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazine-3-carboxylate (CID 161332730) is 2-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]propan-2-ol;methyl 6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazine-3-carboxylate.
What is the SMILES notation for 2-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]propan-2-ol;methyl 6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazine-3-carboxylate?
The canonical SMILES for 2-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]propan-2-ol;methyl 6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazine-3-carboxylate is CC(C)(O)c1ccc(NCC2(c3ncccc3F)CCC2)nn1.COC(=O)c1ccc(NCC2(c3ncccc3F)CCC2)nn1.
What is the InChIKey of 2-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]propan-2-ol;methyl 6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazine-3-carboxylate?
The InChIKey is VLQDKUDTUSTFIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O.C16H17FN4O2/c1-16(2,23)13-6-7-14(22-21-13)20-11-17(8-4-9-17)15-12(18)5-3-10-19-15;1-23-15(22)12-5-6-13(21-20-12)19-10-16(7-3-8-16)14-11(17)4-2-9-18-14/h3,5-7,10,23H,4,8-9,11H2,1-2H3,(H,20,22);2,4-6,9H,3,7-8,10H2,1H3,(H,19,21).
What are the key properties of 2-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]propan-2-ol;methyl 6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazine-3-carboxylate?
2-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]propan-2-ol;methyl 6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazine-3-carboxylate has a molecular weight of 632.72 g/mol, XLogP of 5.10, 10 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]propan-2-ol;methyl 6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazine-3-carboxylate is sourced from PubChem (CID 161332730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).