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

C43H52FN9O6 — CID 144807972

About 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

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 (PubChem CID 144807972) has the molecular formula C43H52FN9O6 and a molecular weight of 809.94 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 144807972
• Molecular Formula: C43H52FN9O6
• Molecular Weight: 809.94 g/mol
• Exact Mass: 809.40
• IUPAC Name: 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
• SMILES: CC.CNC(=O)c1nn(CC2(Cn3cc(C)c4cccnc43)CCCC2)cc(O)c1=O.CNC(=O)c1nn(CC2(n3ccc4c(F)cccc43)CCCC2)cc(O)c1=O
• InChI: InChI=1S/C21H25N5O3.C20H21FN4O3.C2H6/c1-14-10-25(19-15(14)6-5-9-23-19)12-21(7-3-4-8-21)13-26-11-16(27)18(28)17(24-26)20(29)22-2;1-22-19(28)17-18(27)16(26)11-24(23-17)12-20(8-2-3-9-20)25-10-7-13-14(21)5-4-6-15(13)25;1-2/h5-6,9-11,27H,3-4,7-8,12-13H2,1-2H3,(H,22,29);4-7,10-11,26H,2-3,8-9,12H2,1H3,(H,22,28);1-2H3
• InChIKey: MFIGRIRQRGKGGI-UHFFFAOYSA-N
• XLogP: 5.63
• TPSA: 191.19 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 13
• Rotatable Bonds: 9
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	809.94
LogP ≤ 5	5.63
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CC.CNC(=O)c1nn(CC2(Cn3cc(C)c4cccnc43)CCCC2)cc(O)c1=O.CNC(=O)c1nn(CC2(n3ccc4c(F)cccc43)CCCC2)cc(O)c1=O.

What is the InChIKey of 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?

The InChIKey is MFIGRIRQRGKGGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O3.C20H21FN4O3.C2H6/c1-14-10-25(19-15(14)6-5-9-23-19)12-21(7-3-4-8-21)13-26-11-16(27)18(28)17(24-26)20(29)22-2;1-22-19(28)17-18(27)16(26)11-24(23-17)12-20(8-2-3-9-20)25-10-7-13-14(21)5-4-6-15(13)25;1-2/h5-6,9-11,27H,3-4,7-8,12-13H2,1-2H3,(H,22,29);4-7,10-11,26H,2-3,8-9,12H2,1H3,(H,22,28);1-2H3.

What are the key properties of 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?

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 has a molecular weight of 809.94 g/mol, XLogP of 5.63, 9 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 144807972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).