carbon dioxide;3-(5-ethyl-2H-pyrrol-3-yl)-6-[2-[1-(3-fluoro-2-pyridinyl)cyclobutyl]ethyl]pyridazine;3-[6-[2-[1-(3-fluoro-2-pyridinyl)cyclobutyl]ethyl]pyridazin-3-yl]-2H-pyrrole-5-carboxamide

C42H43F2N9O3 — CID 160904564

IUPACcarbon dioxide;3-(5-ethyl-2H-pyrrol-3-yl)-6-[2-[1-(3-fluoro-2-pyridinyl)cyclobutyl]ethyl]pyridazine;3-[6-[2-[1-(3-fluoro-2-pyridinyl)cyclobutyl]ethyl]pyridazin-3-yl]-2H-pyrrole-5-carboxamide
SMILESCCC1=NCC(c2ccc(CCC3(c4ncccc4F)CCC3)nn2)=C1.NC(=O)C1=NCC(c2ccc(CCC3(c4ncccc4F)CCC3)nn2)=C1.O=C=O
InChIInChI=1S/C21H23FN4.C20H20FN5O.CO2/c1-2-16-13-15(14-24-16)19-7-6-17(25-26-19)8-11-21(9-4-10-21)20-18(22)5-3-12-23-20;21-15-3-1-10-23-18(15)20(7-2-8-20)9-6-14-4-5-16(26-25-14)13-11-17(19(22)27)24-12-13;2-1-3/h3,5-7,12-13H,2,4,8-11,14H2,1H3;1,3-5,10-11H,2,6-9,12H2,(H2,22,27);
InChIKeySPYPLRGRWJYAIZ-UHFFFAOYSA-N
MW759.86 g/mol
LogP6.12
Rot. Bonds12

About carbon dioxide;3-(5-ethyl-2H-pyrrol-3-yl)-6-[2-[1-(3-fluoro-2-pyridinyl)cyclobutyl]ethyl]pyridazine;3-[6-[2-[1-(3-fluoro-2-pyridinyl)cyclobutyl]ethyl]pyridazin-3-yl]-2H-pyrrole-5-carboxamide

carbon dioxide;3-(5-ethyl-2H-pyrrol-3-yl)-6-[2-[1-(3-fluoro-2-pyridinyl)cyclobutyl]ethyl]pyridazine;3-[6-[2-[1-(3-fluoro-2-pyridinyl)cyclobutyl]ethyl]pyridazin-3-yl]-2H-pyrrole-5-carboxamide (PubChem CID 160904564) has the molecular formula C42H43F2N9O3 and a molecular weight of 759.86 g/mol. Its IUPAC name is carbon dioxide;3-(5-ethyl-2H-pyrrol-3-yl)-6-[2-[1-(3-fluoro-2-pyridinyl)cyclobutyl]ethyl]pyridazine;3-[6-[2-[1-(3-fluoro-2-pyridinyl)cyclobutyl]ethyl]pyridazin-3-yl]-2H-pyrrole-5-carboxamide.

Molecular Properties

Compound Namecarbon dioxide;3-(5-ethyl-2H-pyrrol-3-yl)-6-[2-[1-(3-fluoro-2-pyridinyl)cyclobutyl]ethyl]pyridazine;3-[6-[2-[1-(3-fluoro-2-pyridinyl)cyclobutyl]ethyl]pyridazin-3-yl]-2H-pyrrole-5-carboxamide
PubChem CID160904564
Molecular FormulaC42H43F2N9O3
Molecular Weight759.86 g/mol
Exact Mass759.35
IUPAC Namecarbon dioxide;3-(5-ethyl-2H-pyrrol-3-yl)-6-[2-[1-(3-fluoro-2-pyridinyl)cyclobutyl]ethyl]pyridazine;3-[6-[2-[1-(3-fluoro-2-pyridinyl)cyclobutyl]ethyl]pyridazin-3-yl]-2H-pyrrole-5-carboxamide
SMILESCCC1=NCC(c2ccc(CCC3(c4ncccc4F)CCC3)nn2)=C1.NC(=O)C1=NCC(c2ccc(CCC3(c4ncccc4F)CCC3)nn2)=C1.O=C=O
InChIInChI=1S/C21H23FN4.C20H20FN5O.CO2/c1-2-16-13-15(14-24-16)19-7-6-17(25-26-19)8-11-21(9-4-10-21)20-18(22)5-3-12-23-20;21-15-3-1-10-23-18(15)20(7-2-8-20)9-6-14-4-5-16(26-25-14)13-11-17(19(22)27)24-12-13;2-1-3/h3,5-7,12-13H,2,4,8-11,14H2,1H3;1,3-5,10-11H,2,6-9,12H2,(H2,22,27);
InChIKeySPYPLRGRWJYAIZ-UHFFFAOYSA-N
XLogP6.12
TPSA179.29 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds12
Heavy Atoms56
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500759.86
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze carbon dioxide;3-(5-ethyl-2H-pyrrol-3-yl)-6-[2-[1-(3-fluoro-2-pyridinyl)cyclobutyl]ethyl]pyridazine;3-[6-[2-[1-(3-fluoro-2-pyridinyl)cyclobutyl]ethyl]pyridazin-3-yl]-2H-pyrrole-5-carboxamide with MolForge

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Related Compounds

carbon dioxide;3-(5-ethyl-2H-pyrrol-3-yl)-6-[2-[1-(3-fluoro-2-pyridinyl)cyclobutyl]ethyl]pyridazine;1-[6-[2-[1-(3-fluoro-2-pyridinyl)cyclobutyl]ethyl]pyridazin-3-yl]ethanone
CID 162023209
3-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methyl]pyridazin-3-yl]pyridin-2-amine
CID 118498054
4-[5-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-1,3,4-thiadiazol-2-yl]benzamide
CID 70974823
3-[5-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-1,3,4-thiadiazol-2-yl]benzamide
CID 70975127
[1-(3-fluoro-2-pyridinyl)cyclobutyl]methyl-[6-[5-(hydroxymethyl)-1,3-thiazol-2-yl]pyridazin-3-yl]carbamic acid
CID 67453855
tert-butyl N-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methyl]-N-[6-[5-(5-oxo-1,4-dihydroimidazol-2-yl)thiophen-2-yl]pyridazin-3-yl]carbamate
CID 159627679
4-fluoro-3-[5-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-1,2,4-thiadiazol-3-yl]benzamide
CID 71469152
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 2-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]-1-methylimidazole-4-carboxylate
CID 67453912
amino-[3-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]-1H-pyrazol-5-yl]methanol
CID 123726192
[2-[[5-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]thiophen-2-yl]methylamino]-2-oxoethyl] 2-(2-aminopropanoylamino)propanoate
CID 77431933
2-fluoro-5-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]-N-propylbenzamide;2-fluoro-5-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]-N-propylbenzenecarbothioamide
CID 157428665

Frequently Asked Questions

What is the IUPAC name of carbon dioxide;3-(5-ethyl-2H-pyrrol-3-yl)-6-[2-[1-(3-fluoro-2-pyridinyl)cyclobutyl]ethyl]pyridazine;3-[6-[2-[1-(3-fluoro-2-pyridinyl)cyclobutyl]ethyl]pyridazin-3-yl]-2H-pyrrole-5-carboxamide?
The IUPAC name of carbon dioxide;3-(5-ethyl-2H-pyrrol-3-yl)-6-[2-[1-(3-fluoro-2-pyridinyl)cyclobutyl]ethyl]pyridazine;3-[6-[2-[1-(3-fluoro-2-pyridinyl)cyclobutyl]ethyl]pyridazin-3-yl]-2H-pyrrole-5-carboxamide (CID 160904564) is carbon dioxide;3-(5-ethyl-2H-pyrrol-3-yl)-6-[2-[1-(3-fluoro-2-pyridinyl)cyclobutyl]ethyl]pyridazine;3-[6-[2-[1-(3-fluoro-2-pyridinyl)cyclobutyl]ethyl]pyridazin-3-yl]-2H-pyrrole-5-carboxamide.
What is the SMILES notation for carbon dioxide;3-(5-ethyl-2H-pyrrol-3-yl)-6-[2-[1-(3-fluoro-2-pyridinyl)cyclobutyl]ethyl]pyridazine;3-[6-[2-[1-(3-fluoro-2-pyridinyl)cyclobutyl]ethyl]pyridazin-3-yl]-2H-pyrrole-5-carboxamide?
The canonical SMILES for carbon dioxide;3-(5-ethyl-2H-pyrrol-3-yl)-6-[2-[1-(3-fluoro-2-pyridinyl)cyclobutyl]ethyl]pyridazine;3-[6-[2-[1-(3-fluoro-2-pyridinyl)cyclobutyl]ethyl]pyridazin-3-yl]-2H-pyrrole-5-carboxamide is CCC1=NCC(c2ccc(CCC3(c4ncccc4F)CCC3)nn2)=C1.NC(=O)C1=NCC(c2ccc(CCC3(c4ncccc4F)CCC3)nn2)=C1.O=C=O.
What is the InChIKey of carbon dioxide;3-(5-ethyl-2H-pyrrol-3-yl)-6-[2-[1-(3-fluoro-2-pyridinyl)cyclobutyl]ethyl]pyridazine;3-[6-[2-[1-(3-fluoro-2-pyridinyl)cyclobutyl]ethyl]pyridazin-3-yl]-2H-pyrrole-5-carboxamide?
The InChIKey is SPYPLRGRWJYAIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4.C20H20FN5O.CO2/c1-2-16-13-15(14-24-16)19-7-6-17(25-26-19)8-11-21(9-4-10-21)20-18(22)5-3-12-23-20;21-15-3-1-10-23-18(15)20(7-2-8-20)9-6-14-4-5-16(26-25-14)13-11-17(19(22)27)24-12-13;2-1-3/h3,5-7,12-13H,2,4,8-11,14H2,1H3;1,3-5,10-11H,2,6-9,12H2,(H2,22,27);.
What are the key properties of carbon dioxide;3-(5-ethyl-2H-pyrrol-3-yl)-6-[2-[1-(3-fluoro-2-pyridinyl)cyclobutyl]ethyl]pyridazine;3-[6-[2-[1-(3-fluoro-2-pyridinyl)cyclobutyl]ethyl]pyridazin-3-yl]-2H-pyrrole-5-carboxamide?
carbon dioxide;3-(5-ethyl-2H-pyrrol-3-yl)-6-[2-[1-(3-fluoro-2-pyridinyl)cyclobutyl]ethyl]pyridazine;3-[6-[2-[1-(3-fluoro-2-pyridinyl)cyclobutyl]ethyl]pyridazin-3-yl]-2H-pyrrole-5-carboxamide has a molecular weight of 759.86 g/mol, XLogP of 6.12, 12 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;3-(5-ethyl-2H-pyrrol-3-yl)-6-[2-[1-(3-fluoro-2-pyridinyl)cyclobutyl]ethyl]pyridazine;3-[6-[2-[1-(3-fluoro-2-pyridinyl)cyclobutyl]ethyl]pyridazin-3-yl]-2H-pyrrole-5-carboxamide is sourced from PubChem (CID 160904564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).