5-hydroxy-1-[[1-(3-methoxypyrrolo[2,3-b]pyridin-1-yl)cyclopentyl]methyl]-N-methyl-4-oxopyridazine-3-carboxamide;5-hydroxy-N-methyl-1-[[1-(5-methylquinolin-7-yl)cyclopentyl]methyl]-4-oxopyridazine-3-carboxamide

C42H47N9O7 — CID 144807883

IUPAC5-hydroxy-1-[[1-(3-methoxypyrrolo[2,3-b]pyridin-1-yl)cyclopentyl]methyl]-N-methyl-4-oxopyridazine-3-carboxamide;5-hydroxy-N-methyl-1-[[1-(5-methylquinolin-7-yl)cyclopentyl]methyl]-4-oxopyridazine-3-carboxamide
SMILESCNC(=O)c1nn(CC2(c3cc(C)c4cccnc4c3)CCCC2)cc(O)c1=O.CNC(=O)c1nn(CC2(n3cc(OC)c4cccnc43)CCCC2)cc(O)c1=O
InChIInChI=1S/C22H24N4O3.C20H23N5O4/c1-14-10-15(11-17-16(14)6-5-9-24-17)22(7-3-4-8-22)13-26-12-18(27)20(28)19(25-26)21(29)23-2;1-21-19(28)16-17(27)14(26)10-24(23-16)12-20(7-3-4-8-20)25-11-15(29-2)13-6-5-9-22-18(13)25/h5-6,9-12,27H,3-4,7-8,13H2,1-2H3,(H,23,29);5-6,9-11,26H,3-4,7-8,12H2,1-2H3,(H,21,28)
InChIKeyFCFGKEXWDRPYCV-UHFFFAOYSA-N
MW789.89 g/mol
LogP4.31
Rot. Bonds9

About 5-hydroxy-1-[[1-(3-methoxypyrrolo[2,3-b]pyridin-1-yl)cyclopentyl]methyl]-N-methyl-4-oxopyridazine-3-carboxamide;5-hydroxy-N-methyl-1-[[1-(5-methylquinolin-7-yl)cyclopentyl]methyl]-4-oxopyridazine-3-carboxamide

5-hydroxy-1-[[1-(3-methoxypyrrolo[2,3-b]pyridin-1-yl)cyclopentyl]methyl]-N-methyl-4-oxopyridazine-3-carboxamide;5-hydroxy-N-methyl-1-[[1-(5-methylquinolin-7-yl)cyclopentyl]methyl]-4-oxopyridazine-3-carboxamide (PubChem CID 144807883) has the molecular formula C42H47N9O7 and a molecular weight of 789.89 g/mol. Its IUPAC name is 5-hydroxy-1-[[1-(3-methoxypyrrolo[2,3-b]pyridin-1-yl)cyclopentyl]methyl]-N-methyl-4-oxopyridazine-3-carboxamide;5-hydroxy-N-methyl-1-[[1-(5-methylquinolin-7-yl)cyclopentyl]methyl]-4-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name5-hydroxy-1-[[1-(3-methoxypyrrolo[2,3-b]pyridin-1-yl)cyclopentyl]methyl]-N-methyl-4-oxopyridazine-3-carboxamide;5-hydroxy-N-methyl-1-[[1-(5-methylquinolin-7-yl)cyclopentyl]methyl]-4-oxopyridazine-3-carboxamide
PubChem CID144807883
Molecular FormulaC42H47N9O7
Molecular Weight789.89 g/mol
Exact Mass789.36
IUPAC Name5-hydroxy-1-[[1-(3-methoxypyrrolo[2,3-b]pyridin-1-yl)cyclopentyl]methyl]-N-methyl-4-oxopyridazine-3-carboxamide;5-hydroxy-N-methyl-1-[[1-(5-methylquinolin-7-yl)cyclopentyl]methyl]-4-oxopyridazine-3-carboxamide
SMILESCNC(=O)c1nn(CC2(c3cc(C)c4cccnc4c3)CCCC2)cc(O)c1=O.CNC(=O)c1nn(CC2(n3cc(OC)c4cccnc43)CCCC2)cc(O)c1=O
InChIInChI=1S/C22H24N4O3.C20H23N5O4/c1-14-10-15(11-17-16(14)6-5-9-24-17)22(7-3-4-8-22)13-26-12-18(27)20(28)19(25-26)21(29)23-2;1-21-19(28)16-17(27)14(26)10-24(23-16)12-20(7-3-4-8-20)25-11-15(29-2)13-6-5-9-22-18(13)25/h5-6,9-12,27H,3-4,7-8,13H2,1-2H3,(H,23,29);5-6,9-11,26H,3-4,7-8,12H2,1-2H3,(H,21,28)
InChIKeyFCFGKEXWDRPYCV-UHFFFAOYSA-N
XLogP4.31
TPSA208.38 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds9
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500789.89
LogP ≤ 54.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Analyze 5-hydroxy-1-[[1-(3-methoxypyrrolo[2,3-b]pyridin-1-yl)cyclopentyl]methyl]-N-methyl-4-oxopyridazine-3-carboxamide;5-hydroxy-N-methyl-1-[[1-(5-methylquinolin-7-yl)cyclopentyl]methyl]-4-oxopyridazine-3-carboxamide with MolForge

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Related Compounds

ethane;1-[[1-(4-fluoroindol-1-yl)cyclopentyl]methyl]-5-hydroxy-N-methyl-4-oxopyridazine-3-carboxamide;5-hydroxy-N-methyl-1-[[1-[(3-methylpyrrolo[2,3-b]pyridin-1-yl)methyl]cyclopentyl]methyl]-4-oxopyridazine-3-carboxamide
CID 144807972
3-acetyl-1-[[1-(3-butylpyrrolo[2,3-b]pyridin-1-yl)cyclopentyl]methyl]-5-hydroxypyridazin-4-one
CID 144808005
3-acetyl-1-[[2-(4-tert-butylphenyl)phenyl]methyl]-5-hydroxypyridazin-4-one;1-(2-cyclohexyl-2-phenylethyl)-5-hydroxy-N-methyl-4-oxopyridazine-3-carboxamide;1-(2-cyclopentyl-2-phenylethyl)-5-hydroxy-N-methyl-4-oxopyridazine-3-carboxamide;N-cyclopropyl-5-hydroxy-1-[[1-(3-methylpyrrolo[2,3-b]pyridin-1-yl)cyclopentyl]methyl]-4-oxopyridazine-3-carboxamide;1-(2,2-diphenylethyl)-5-hydroxy-N-methyl-4-oxopyridazine-3-carboxamide;5-hydroxy-N-methyl-1-[[1-(4-methylphenyl)cyclopropyl]methyl]-4-oxopyridazine-3-carboxamide;[6-(methylcarbamoyl)-2-[[1-(3-methylpyrrolo[2,3-b]pyridin-1-yl)cyclopentyl]methyl]-5-oxopyridazin-4-yl] acetate
CID 157404547
5-hydroxy-4-oxo-1-[(1-pyrrolo[2,3-b]pyridin-1-ylcyclopentyl)methyl]pyridazine-3-carboxylic acid
CID 123399268
3-[(tert-butylamino)methyl]-1-[[1-(3-chloropyrrolo[2,3-b]pyridin-1-yl)cyclopentyl]methyl]-5-hydroxypyridazin-4-one
CID 123345805
N-cyclopentyl-1-[[1-[3-(fluoromethyl)phenyl]cyclopentyl]methyl]-5-hydroxy-4-oxopyridazine-3-carboxamide
CID 144808040
1-[[1-[3,5-bis(trifluoromethyl)phenyl]cyclopentyl]methyl]-5-hydroxy-4-oxopyridazine-3-carboxylic acid;ethane
CID 144807955
5-hydroxy-N-(1H-indazol-5-ylmethyl)-1-[[1-(3-methylphenyl)cyclopentyl]methyl]-4-oxopyridazine-3-carboxamide
CID 147971835
5-hydroxy-4-oxo-1-[[1-[3-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]cyclopentyl]methyl]pyridine-3-carboxylic acid
CID 58067628
1-(cyclopentylmethyl)-N-(3,4-dimethoxyphenyl)-5-hydroxy-4-oxopyridazine-3-carboxamide;toluene
CID 144808006
5-hydroxy-4-oxo-1-[(1-pyrrolo[2,3-b]pyridin-1-ylcyclopentyl)methyl]pyridine-3-carboxylic acid
CID 90429399
3,4-dimethoxy-N-methylpyridine-2-carboxamide
CID 156506686

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-1-[[1-(3-methoxypyrrolo[2,3-b]pyridin-1-yl)cyclopentyl]methyl]-N-methyl-4-oxopyridazine-3-carboxamide;5-hydroxy-N-methyl-1-[[1-(5-methylquinolin-7-yl)cyclopentyl]methyl]-4-oxopyridazine-3-carboxamide?
The IUPAC name of 5-hydroxy-1-[[1-(3-methoxypyrrolo[2,3-b]pyridin-1-yl)cyclopentyl]methyl]-N-methyl-4-oxopyridazine-3-carboxamide;5-hydroxy-N-methyl-1-[[1-(5-methylquinolin-7-yl)cyclopentyl]methyl]-4-oxopyridazine-3-carboxamide (CID 144807883) is 5-hydroxy-1-[[1-(3-methoxypyrrolo[2,3-b]pyridin-1-yl)cyclopentyl]methyl]-N-methyl-4-oxopyridazine-3-carboxamide;5-hydroxy-N-methyl-1-[[1-(5-methylquinolin-7-yl)cyclopentyl]methyl]-4-oxopyridazine-3-carboxamide.
What is the SMILES notation for 5-hydroxy-1-[[1-(3-methoxypyrrolo[2,3-b]pyridin-1-yl)cyclopentyl]methyl]-N-methyl-4-oxopyridazine-3-carboxamide;5-hydroxy-N-methyl-1-[[1-(5-methylquinolin-7-yl)cyclopentyl]methyl]-4-oxopyridazine-3-carboxamide?
The canonical SMILES for 5-hydroxy-1-[[1-(3-methoxypyrrolo[2,3-b]pyridin-1-yl)cyclopentyl]methyl]-N-methyl-4-oxopyridazine-3-carboxamide;5-hydroxy-N-methyl-1-[[1-(5-methylquinolin-7-yl)cyclopentyl]methyl]-4-oxopyridazine-3-carboxamide is CNC(=O)c1nn(CC2(c3cc(C)c4cccnc4c3)CCCC2)cc(O)c1=O.CNC(=O)c1nn(CC2(n3cc(OC)c4cccnc43)CCCC2)cc(O)c1=O.
What is the InChIKey of 5-hydroxy-1-[[1-(3-methoxypyrrolo[2,3-b]pyridin-1-yl)cyclopentyl]methyl]-N-methyl-4-oxopyridazine-3-carboxamide;5-hydroxy-N-methyl-1-[[1-(5-methylquinolin-7-yl)cyclopentyl]methyl]-4-oxopyridazine-3-carboxamide?
The InChIKey is FCFGKEXWDRPYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3.C20H23N5O4/c1-14-10-15(11-17-16(14)6-5-9-24-17)22(7-3-4-8-22)13-26-12-18(27)20(28)19(25-26)21(29)23-2;1-21-19(28)16-17(27)14(26)10-24(23-16)12-20(7-3-4-8-20)25-11-15(29-2)13-6-5-9-22-18(13)25/h5-6,9-12,27H,3-4,7-8,13H2,1-2H3,(H,23,29);5-6,9-11,26H,3-4,7-8,12H2,1-2H3,(H,21,28).
What are the key properties of 5-hydroxy-1-[[1-(3-methoxypyrrolo[2,3-b]pyridin-1-yl)cyclopentyl]methyl]-N-methyl-4-oxopyridazine-3-carboxamide;5-hydroxy-N-methyl-1-[[1-(5-methylquinolin-7-yl)cyclopentyl]methyl]-4-oxopyridazine-3-carboxamide?
5-hydroxy-1-[[1-(3-methoxypyrrolo[2,3-b]pyridin-1-yl)cyclopentyl]methyl]-N-methyl-4-oxopyridazine-3-carboxamide;5-hydroxy-N-methyl-1-[[1-(5-methylquinolin-7-yl)cyclopentyl]methyl]-4-oxopyridazine-3-carboxamide has a molecular weight of 789.89 g/mol, XLogP of 4.31, 9 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-1-[[1-(3-methoxypyrrolo[2,3-b]pyridin-1-yl)cyclopentyl]methyl]-N-methyl-4-oxopyridazine-3-carboxamide;5-hydroxy-N-methyl-1-[[1-(5-methylquinolin-7-yl)cyclopentyl]methyl]-4-oxopyridazine-3-carboxamide is sourced from PubChem (CID 144807883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).