cis-(1S,2S)-N-[8-amino-6-(4,6-diethyl-3-pyridinyl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(5-methylidenepyrrolidin-3-yl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methyl-6-methylidene-3-pyridinylidene)-2H-isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methyl-5-oxopyrrolidin-1-yl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methylphenyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methyl-1H-pyrrol-3-yl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;sulfane

C117H119F5N24O7S2 — CID 159114986

About cis-(1S,2S)-N-[8-amino-6-(4,6-diethyl-3-pyridinyl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(5-methylidenepyrrolidin-3-yl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methyl-6-methylidene-3-pyridinylidene)-2H-isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methyl-5-oxopyrrolidin-1-yl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methylphenyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methyl-1H-pyrrol-3-yl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;sulfane

cis-(1S,2S)-N-[8-amino-6-(4,6-diethyl-3-pyridinyl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(5-methylidenepyrrolidin-3-yl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methyl-6-methylidene-3-pyridinylidene)-2H-isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methyl-5-oxopyrrolidin-1-yl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methylphenyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methyl-1H-pyrrol-3-yl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;sulfane (PubChem CID 159114986) has the molecular formula C117H119F5N24O7S2 and a molecular weight of 2132.52 g/mol. Its IUPAC name is cis-(1S,2S)-N-[8-amino-6-(4,6-diethyl-3-pyridinyl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(5-methylidenepyrrolidin-3-yl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methyl-6-methylidene-3-pyridinylidene)-2H-isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methyl-5-oxopyrrolidin-1-yl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methylphenyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methyl-1H-pyrrol-3-yl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;sulfane.

Molecular Properties

• Compound Name: cis-(1S,2S)-N-[8-amino-6-(4,6-diethyl-3-pyridinyl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(5-methylidenepyrrolidin-3-yl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methyl-6-methylidene-3-pyridinylidene)-2H-isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methyl-5-oxopyrrolidin-1-yl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methylphenyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methyl-1H-pyrrol-3-yl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;sulfane
• PubChem CID: 159114986
• Molecular Formula: C117H119F5N24O7S2
• Molecular Weight: 2132.52 g/mol
• Exact Mass: 2130.91
• IUPAC Name: cis-(1S,2S)-N-[8-amino-6-(4,6-diethyl-3-pyridinyl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(5-methylidenepyrrolidin-3-yl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methyl-6-methylidene-3-pyridinylidene)-2H-isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methyl-5-oxopyrrolidin-1-yl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methylphenyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methyl-1H-pyrrol-3-yl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;sulfane
• SMILES: C=C1CC(c2cc(N)c3cnc(NC(=O)[C@@H]4C[C@@H]4F)cc3c2)CN1.C=c1ccc(=c2cc(N)c3c(c2)C=C(NC(=O)[C@@H]2C[C@@H]2F)NC=3)c(C)n1.CC1CCC(=O)N1c1cc(N)c2cnc(NC(=O)[C@@H]3C[C@@H]3F)cc2c1.CCc1cc(CC)c(-c2cc(N)c3cnc(NC(=O)[C@@H]4C[C@@H]4F)cc3c2)cn1.Cc1[nH]ccc1-c1cc(N)c2cnc(NC(=O)[C@@H]3C[C@@H]3F)cc2c1.Cc1ccccc1-c1cc(N)c2cnc(NC(=O)[C@H]3C[C@@H]3C#N)cc2c1.S.S
• InChI: InChI=1S/C22H23FN4O.C21H18N4O.C20H19FN4O.C18H19FN4O2.C18H19FN4O.C18H17FN4O.2H2S/c1-3-12-6-15(4-2)25-10-17(12)13-5-14-8-21(26-11-18(14)20(24)7-13)27-22(28)16-9-19(16)23;1-12-4-2-3-5-16(12)13-6-14-9-20(24-11-18(14)19(23)8-13)25-21(26)17-7-15(17)10-22;1-10-3-4-14(11(2)24-10)12-5-13-7-19(23-9-16(13)18(22)6-12)25-20(26)15-8-17(15)21;1-9-2-3-17(24)23(9)11-4-10-5-16(21-8-13(10)15(20)6-11)22-18(25)12-7-14(12)19;1-9-2-12(7-21-9)10-3-11-5-17(22-8-14(11)16(20)4-10)23-18(24)13-6-15(13)19;1-9-12(2-3-21-9)10-4-11-6-17(22-8-14(11)16(20)5-10)23-18(24)13-7-15(13)19;;/h5-8,10-11,16,19H,3-4,9,24H2,1-2H3,(H,26,27,28);2-6,8-9,11,15,17H,7,23H2,1H3,(H,24,25,26);3-7,9,15,17,23H,1,8,22H2,2H3,(H,25,26);4-6,8-9,12,14H,2-3,7,20H2,1H3,(H,21,22,25);3-5,8,12-13,15,21H,1-2,6-7,20H2,(H,22,23,24);2-6,8,13,15,21H,7,20H2,1H3,(H,22,23,24);2*1H2/t16-,19+;2*15-,17+;9?,12-,14+;12?,13-,15+;13-,15+;;/m111111../s1
• InChIKey: WWRSDFYALTWCHK-HVVCVWSHSA-N
• XLogP: 17.95
• TPSA: 504.90 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 23
• Rotatable Bonds: 19
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2132.52
LogP ≤ 5	17.95
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-N-[8-amino-6-(4,6-diethyl-3-pyridinyl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(5-methylidenepyrrolidin-3-yl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methyl-6-methylidene-3-pyridinylidene)-2H-isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methyl-5-oxopyrrolidin-1-yl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methylphenyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methyl-1H-pyrrol-3-yl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;sulfane?

The IUPAC name of cis-(1S,2S)-N-[8-amino-6-(4,6-diethyl-3-pyridinyl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(5-methylidenepyrrolidin-3-yl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methyl-6-methylidene-3-pyridinylidene)-2H-isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methyl-5-oxopyrrolidin-1-yl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methylphenyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methyl-1H-pyrrol-3-yl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;sulfane (CID 159114986) is cis-(1S,2S)-N-[8-amino-6-(4,6-diethyl-3-pyridinyl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(5-methylidenepyrrolidin-3-yl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methyl-6-methylidene-3-pyridinylidene)-2H-isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methyl-5-oxopyrrolidin-1-yl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methylphenyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methyl-1H-pyrrol-3-yl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;sulfane.

What is the SMILES notation for cis-(1S,2S)-N-[8-amino-6-(4,6-diethyl-3-pyridinyl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(5-methylidenepyrrolidin-3-yl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methyl-6-methylidene-3-pyridinylidene)-2H-isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methyl-5-oxopyrrolidin-1-yl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methylphenyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methyl-1H-pyrrol-3-yl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;sulfane?

The canonical SMILES for cis-(1S,2S)-N-[8-amino-6-(4,6-diethyl-3-pyridinyl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(5-methylidenepyrrolidin-3-yl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methyl-6-methylidene-3-pyridinylidene)-2H-isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methyl-5-oxopyrrolidin-1-yl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methylphenyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methyl-1H-pyrrol-3-yl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;sulfane is C=C1CC(c2cc(N)c3cnc(NC(=O)[C@@H]4C[C@@H]4F)cc3c2)CN1.C=c1ccc(=c2cc(N)c3c(c2)C=C(NC(=O)[C@@H]2C[C@@H]2F)NC=3)c(C)n1.CC1CCC(=O)N1c1cc(N)c2cnc(NC(=O)[C@@H]3C[C@@H]3F)cc2c1.CCc1cc(CC)c(-c2cc(N)c3cnc(NC(=O)[C@@H]4C[C@@H]4F)cc3c2)cn1.Cc1[nH]ccc1-c1cc(N)c2cnc(NC(=O)[C@@H]3C[C@@H]3F)cc2c1.Cc1ccccc1-c1cc(N)c2cnc(NC(=O)[C@H]3C[C@@H]3C#N)cc2c1.S.S.

What is the InChIKey of cis-(1S,2S)-N-[8-amino-6-(4,6-diethyl-3-pyridinyl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(5-methylidenepyrrolidin-3-yl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methyl-6-methylidene-3-pyridinylidene)-2H-isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methyl-5-oxopyrrolidin-1-yl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methylphenyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methyl-1H-pyrrol-3-yl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;sulfane?

The InChIKey is WWRSDFYALTWCHK-HVVCVWSHSA-N. The full InChI is InChI=1S/C22H23FN4O.C21H18N4O.C20H19FN4O.C18H19FN4O2.C18H19FN4O.C18H17FN4O.2H2S/c1-3-12-6-15(4-2)25-10-17(12)13-5-14-8-21(26-11-18(14)20(24)7-13)27-22(28)16-9-19(16)23;1-12-4-2-3-5-16(12)13-6-14-9-20(24-11-18(14)19(23)8-13)25-21(26)17-7-15(17)10-22;1-10-3-4-14(11(2)24-10)12-5-13-7-19(23-9-16(13)18(22)6-12)25-20(26)15-8-17(15)21;1-9-2-3-17(24)23(9)11-4-10-5-16(21-8-13(10)15(20)6-11)22-18(25)12-7-14(12)19;1-9-2-12(7-21-9)10-3-11-5-17(22-8-14(11)16(20)4-10)23-18(24)13-6-15(13)19;1-9-12(2-3-21-9)10-4-11-6-17(22-8-14(11)16(20)5-10)23-18(24)13-7-15(13)19;;/h5-8,10-11,16,19H,3-4,9,24H2,1-2H3,(H,26,27,28);2-6,8-9,11,15,17H,7,23H2,1H3,(H,24,25,26);3-7,9,15,17,23H,1,8,22H2,2H3,(H,25,26);4-6,8-9,12,14H,2-3,7,20H2,1H3,(H,21,22,25);3-5,8,12-13,15,21H,1-2,6-7,20H2,(H,22,23,24);2-6,8,13,15,21H,7,20H2,1H3,(H,22,23,24);2*1H2/t16-,19+;2*15-,17+;9?,12-,14+;12?,13-,15+;13-,15+;;/m111111../s1.

What are the key properties of cis-(1S,2S)-N-[8-amino-6-(4,6-diethyl-3-pyridinyl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(5-methylidenepyrrolidin-3-yl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methyl-6-methylidene-3-pyridinylidene)-2H-isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methyl-5-oxopyrrolidin-1-yl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methylphenyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methyl-1H-pyrrol-3-yl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;sulfane?

cis-(1S,2S)-N-[8-amino-6-(4,6-diethyl-3-pyridinyl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(5-methylidenepyrrolidin-3-yl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methyl-6-methylidene-3-pyridinylidene)-2H-isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methyl-5-oxopyrrolidin-1-yl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methylphenyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methyl-1H-pyrrol-3-yl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;sulfane has a molecular weight of 2132.52 g/mol, XLogP of 17.95, 19 rotatable bonds, 15 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for cis-(1S,2S)-N-[8-amino-6-(4,6-diethyl-3-pyridinyl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(5-methylidenepyrrolidin-3-yl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methyl-6-methylidene-3-pyridinylidene)-2H-isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methyl-5-oxopyrrolidin-1-yl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methylphenyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methyl-1H-pyrrol-3-yl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;sulfane is sourced from PubChem (CID 159114986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).