cyclobutyl N-[7-[2-[(1S,2R,3S,4S)-4-(4-aminopyrrolo[1,2-b]pyridazin-7-yl)-2,3-dihydroxy-1-methylcyclopentyl]ethyl]quinolin-2-yl]carbamate;heptan-4-yl N-[7-[2-[(1S,2R,3S,4S)-4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2,3-dihydroxy-1-methylcyclopentyl]ethyl]quinolin-2-yl]carbamate

C60H73N11O8 — CID 160860107

About cyclobutyl N-[7-[2-[(1S,2R,3S,4S)-4-(4-aminopyrrolo[1,2-b]pyridazin-7-yl)-2,3-dihydroxy-1-methylcyclopentyl]ethyl]quinolin-2-yl]carbamate;heptan-4-yl N-[7-[2-[(1S,2R,3S,4S)-4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2,3-dihydroxy-1-methylcyclopentyl]ethyl]quinolin-2-yl]carbamate

cyclobutyl N-[7-[2-[(1S,2R,3S,4S)-4-(4-aminopyrrolo[1,2-b]pyridazin-7-yl)-2,3-dihydroxy-1-methylcyclopentyl]ethyl]quinolin-2-yl]carbamate;heptan-4-yl N-[7-[2-[(1S,2R,3S,4S)-4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2,3-dihydroxy-1-methylcyclopentyl]ethyl]quinolin-2-yl]carbamate (PubChem CID 160860107) has the molecular formula C60H73N11O8 and a molecular weight of 1076.31 g/mol. Its IUPAC name is cyclobutyl N-[7-[2-[(1S,2R,3S,4S)-4-(4-aminopyrrolo[1,2-b]pyridazin-7-yl)-2,3-dihydroxy-1-methylcyclopentyl]ethyl]quinolin-2-yl]carbamate;heptan-4-yl N-[7-[2-[(1S,2R,3S,4S)-4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2,3-dihydroxy-1-methylcyclopentyl]ethyl]quinolin-2-yl]carbamate.

Molecular Properties

• Compound Name: cyclobutyl N-[7-[2-[(1S,2R,3S,4S)-4-(4-aminopyrrolo[1,2-b]pyridazin-7-yl)-2,3-dihydroxy-1-methylcyclopentyl]ethyl]quinolin-2-yl]carbamate;heptan-4-yl N-[7-[2-[(1S,2R,3S,4S)-4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2,3-dihydroxy-1-methylcyclopentyl]ethyl]quinolin-2-yl]carbamate
• PubChem CID: 160860107
• Molecular Formula: C60H73N11O8
• Molecular Weight: 1076.31 g/mol
• Exact Mass: 1075.56
• IUPAC Name: cyclobutyl N-[7-[2-[(1S,2R,3S,4S)-4-(4-aminopyrrolo[1,2-b]pyridazin-7-yl)-2,3-dihydroxy-1-methylcyclopentyl]ethyl]quinolin-2-yl]carbamate;heptan-4-yl N-[7-[2-[(1S,2R,3S,4S)-4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2,3-dihydroxy-1-methylcyclopentyl]ethyl]quinolin-2-yl]carbamate
• SMILES: CCCC(CCC)OC(=O)Nc1ccc2ccc(CC[C@@]3(C)C[C@@H](c4ccc5c(N)ncnn45)[C@H](O)[C@@H]3O)cc2n1.C[C@]1(CCc2ccc3ccc(NC(=O)OC4CCC4)nc3c2)C[C@@H](c2ccc3c(N)ccnn23)[C@H](O)[C@@H]1O
• InChI: InChI=1S/C31H40N6O4.C29H33N5O4/c1-4-6-21(7-5-2)41-30(40)36-26-13-10-20-9-8-19(16-23(20)35-26)14-15-31(3)17-22(27(38)28(31)39)24-11-12-25-29(32)33-18-34-37(24)25;1-29(16-20(26(35)27(29)36)23-8-9-24-21(30)12-14-31-34(23)24)13-11-17-5-6-18-7-10-25(32-22(18)15-17)33-28(37)38-19-3-2-4-19/h8-13,16,18,21-22,27-28,38-39H,4-7,14-15,17H2,1-3H3,(H2,32,33,34)(H,35,36,40);5-10,12,14-15,19-20,26-27,35-36H,2-4,11,13,16,30H2,1H3,(H,32,33,37)/t22-,27-,28-,31-;20-,26-,27-,29-/m00/s1
• InChIKey: SKJFLNKELHTSLF-NSSJVRMVSA-N
• XLogP: 9.64
• TPSA: 282.89 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 17
• Rotatable Bonds: 16
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1076.31
LogP ≤ 5	9.64
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of cyclobutyl N-[7-[2-[(1S,2R,3S,4S)-4-(4-aminopyrrolo[1,2-b]pyridazin-7-yl)-2,3-dihydroxy-1-methylcyclopentyl]ethyl]quinolin-2-yl]carbamate;heptan-4-yl N-[7-[2-[(1S,2R,3S,4S)-4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2,3-dihydroxy-1-methylcyclopentyl]ethyl]quinolin-2-yl]carbamate?

The IUPAC name of cyclobutyl N-[7-[2-[(1S,2R,3S,4S)-4-(4-aminopyrrolo[1,2-b]pyridazin-7-yl)-2,3-dihydroxy-1-methylcyclopentyl]ethyl]quinolin-2-yl]carbamate;heptan-4-yl N-[7-[2-[(1S,2R,3S,4S)-4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2,3-dihydroxy-1-methylcyclopentyl]ethyl]quinolin-2-yl]carbamate (CID 160860107) is cyclobutyl N-[7-[2-[(1S,2R,3S,4S)-4-(4-aminopyrrolo[1,2-b]pyridazin-7-yl)-2,3-dihydroxy-1-methylcyclopentyl]ethyl]quinolin-2-yl]carbamate;heptan-4-yl N-[7-[2-[(1S,2R,3S,4S)-4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2,3-dihydroxy-1-methylcyclopentyl]ethyl]quinolin-2-yl]carbamate.

What is the SMILES notation for cyclobutyl N-[7-[2-[(1S,2R,3S,4S)-4-(4-aminopyrrolo[1,2-b]pyridazin-7-yl)-2,3-dihydroxy-1-methylcyclopentyl]ethyl]quinolin-2-yl]carbamate;heptan-4-yl N-[7-[2-[(1S,2R,3S,4S)-4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2,3-dihydroxy-1-methylcyclopentyl]ethyl]quinolin-2-yl]carbamate?

The canonical SMILES for cyclobutyl N-[7-[2-[(1S,2R,3S,4S)-4-(4-aminopyrrolo[1,2-b]pyridazin-7-yl)-2,3-dihydroxy-1-methylcyclopentyl]ethyl]quinolin-2-yl]carbamate;heptan-4-yl N-[7-[2-[(1S,2R,3S,4S)-4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2,3-dihydroxy-1-methylcyclopentyl]ethyl]quinolin-2-yl]carbamate is CCCC(CCC)OC(=O)Nc1ccc2ccc(CC[C@@]3(C)C[C@@H](c4ccc5c(N)ncnn45)[C@H](O)[C@@H]3O)cc2n1.C[C@]1(CCc2ccc3ccc(NC(=O)OC4CCC4)nc3c2)C[C@@H](c2ccc3c(N)ccnn23)[C@H](O)[C@@H]1O.

What is the InChIKey of cyclobutyl N-[7-[2-[(1S,2R,3S,4S)-4-(4-aminopyrrolo[1,2-b]pyridazin-7-yl)-2,3-dihydroxy-1-methylcyclopentyl]ethyl]quinolin-2-yl]carbamate;heptan-4-yl N-[7-[2-[(1S,2R,3S,4S)-4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2,3-dihydroxy-1-methylcyclopentyl]ethyl]quinolin-2-yl]carbamate?

The InChIKey is SKJFLNKELHTSLF-NSSJVRMVSA-N. The full InChI is InChI=1S/C31H40N6O4.C29H33N5O4/c1-4-6-21(7-5-2)41-30(40)36-26-13-10-20-9-8-19(16-23(20)35-26)14-15-31(3)17-22(27(38)28(31)39)24-11-12-25-29(32)33-18-34-37(24)25;1-29(16-20(26(35)27(29)36)23-8-9-24-21(30)12-14-31-34(23)24)13-11-17-5-6-18-7-10-25(32-22(18)15-17)33-28(37)38-19-3-2-4-19/h8-13,16,18,21-22,27-28,38-39H,4-7,14-15,17H2,1-3H3,(H2,32,33,34)(H,35,36,40);5-10,12,14-15,19-20,26-27,35-36H,2-4,11,13,16,30H2,1H3,(H,32,33,37)/t22-,27-,28-,31-;20-,26-,27-,29-/m00/s1.

What are the key properties of cyclobutyl N-[7-[2-[(1S,2R,3S,4S)-4-(4-aminopyrrolo[1,2-b]pyridazin-7-yl)-2,3-dihydroxy-1-methylcyclopentyl]ethyl]quinolin-2-yl]carbamate;heptan-4-yl N-[7-[2-[(1S,2R,3S,4S)-4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2,3-dihydroxy-1-methylcyclopentyl]ethyl]quinolin-2-yl]carbamate?

cyclobutyl N-[7-[2-[(1S,2R,3S,4S)-4-(4-aminopyrrolo[1,2-b]pyridazin-7-yl)-2,3-dihydroxy-1-methylcyclopentyl]ethyl]quinolin-2-yl]carbamate;heptan-4-yl N-[7-[2-[(1S,2R,3S,4S)-4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2,3-dihydroxy-1-methylcyclopentyl]ethyl]quinolin-2-yl]carbamate has a molecular weight of 1076.31 g/mol, XLogP of 9.64, 16 rotatable bonds, 8 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for cyclobutyl N-[7-[2-[(1S,2R,3S,4S)-4-(4-aminopyrrolo[1,2-b]pyridazin-7-yl)-2,3-dihydroxy-1-methylcyclopentyl]ethyl]quinolin-2-yl]carbamate;heptan-4-yl N-[7-[2-[(1S,2R,3S,4S)-4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2,3-dihydroxy-1-methylcyclopentyl]ethyl]quinolin-2-yl]carbamate is sourced from PubChem (CID 160860107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).