cis-(1S,2S)-N-[8-amino-6-(1,4-dimethyl-2-oxo-3-pyridinyl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(6-methoxy-2-methyl-3-pyridinyl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methylidene-1,3-dihydropyrrol-4-yl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(6-methyl-2-methylidene-3H-pyridin-5-yl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methyl-1H-pyrrol-3-yl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;sulfane;trans-(1S,2R)-N-[8-amino-6-(1,4-dimethyl-2-oxo-3-pyridinyl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide

C116H114F6N24O9S2 — CID 158970935

About cis-(1S,2S)-N-[8-amino-6-(1,4-dimethyl-2-oxo-3-pyridinyl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(6-methoxy-2-methyl-3-pyridinyl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methylidene-1,3-dihydropyrrol-4-yl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(6-methyl-2-methylidene-3H-pyridin-5-yl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methyl-1H-pyrrol-3-yl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;sulfane;trans-(1S,2R)-N-[8-amino-6-(1,4-dimethyl-2-oxo-3-pyridinyl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide

cis-(1S,2S)-N-[8-amino-6-(1,4-dimethyl-2-oxo-3-pyridinyl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(6-methoxy-2-methyl-3-pyridinyl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methylidene-1,3-dihydropyrrol-4-yl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(6-methyl-2-methylidene-3H-pyridin-5-yl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methyl-1H-pyrrol-3-yl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;sulfane;trans-(1S,2R)-N-[8-amino-6-(1,4-dimethyl-2-oxo-3-pyridinyl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide (PubChem CID 158970935) has the molecular formula C116H114F6N24O9S2 and a molecular weight of 2166.47 g/mol. Its IUPAC name is cis-(1S,2S)-N-[8-amino-6-(1,4-dimethyl-2-oxo-3-pyridinyl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(6-methoxy-2-methyl-3-pyridinyl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methylidene-1,3-dihydropyrrol-4-yl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(6-methyl-2-methylidene-3H-pyridin-5-yl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methyl-1H-pyrrol-3-yl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;sulfane;trans-(1S,2R)-N-[8-amino-6-(1,4-dimethyl-2-oxo-3-pyridinyl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: cis-(1S,2S)-N-[8-amino-6-(1,4-dimethyl-2-oxo-3-pyridinyl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(6-methoxy-2-methyl-3-pyridinyl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methylidene-1,3-dihydropyrrol-4-yl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(6-methyl-2-methylidene-3H-pyridin-5-yl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methyl-1H-pyrrol-3-yl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;sulfane;trans-(1S,2R)-N-[8-amino-6-(1,4-dimethyl-2-oxo-3-pyridinyl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide
• PubChem CID: 158970935
• Molecular Formula: C116H114F6N24O9S2
• Molecular Weight: 2166.47 g/mol
• Exact Mass: 2164.85
• IUPAC Name: cis-(1S,2S)-N-[8-amino-6-(1,4-dimethyl-2-oxo-3-pyridinyl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(6-methoxy-2-methyl-3-pyridinyl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methylidene-1,3-dihydropyrrol-4-yl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(6-methyl-2-methylidene-3H-pyridin-5-yl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methyl-1H-pyrrol-3-yl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;sulfane;trans-(1S,2R)-N-[8-amino-6-(1,4-dimethyl-2-oxo-3-pyridinyl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide
• SMILES: C=C1CC(c2cc(N)c3cnc(NC(=O)[C@@H]4C[C@@H]4F)cc3c2)=CN1.C=C1CC=C(c2cc(N)c3cnc(NC(=O)[C@@H]4C[C@@H]4F)cc3c2)C(C)=N1.COc1ccc(-c2cc(N)c3cnc(NC(=O)[C@@H]4C[C@@H]4F)cc3c2)c(C)n1.Cc1[nH]ccc1-c1cc(N)c2cnc(NC(=O)[C@@H]3C[C@@H]3F)cc2c1.Cc1ccn(C)c(=O)c1-c1cc(N)c2cnc(NC(=O)[C@@H]3C[C@@H]3F)cc2c1.Cc1ccn(C)c(=O)c1-c1cc(N)c2cnc(NC(=O)[C@@H]3C[C@H]3F)cc2c1.S.S
• InChI: InChI=1S/3C20H19FN4O2.C20H19FN4O.2C18H17FN4O.2H2S/c1-10-13(3-4-19(24-10)27-2)11-5-12-7-18(23-9-15(12)17(22)6-11)25-20(26)14-8-16(14)21;2*1-10-3-4-25(2)20(27)18(10)12-5-11-7-17(23-9-14(11)16(22)6-12)24-19(26)13-8-15(13)21;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;1-9-2-12(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;;/h3-7,9,14,16H,8,22H2,1-2H3,(H,23,25,26);2*3-7,9,13,15H,8,22H2,1-2H3,(H,23,24,26);4-7,9,15,17H,1,3,8,22H2,2H3,(H,23,25,26);3-5,7-8,13,15,21H,1-2,6,20H2,(H,22,23,24);2-6,8,13,15,21H,7,20H2,1H3,(H,22,23,24);2*1H2/t14-,16+;13-,15+;13-,15-;15-,17+;2*13-,15+;;/m111111../s1
• InChIKey: JNUQTHBYRMMQMT-XUJRVUGISA-N
• XLogP: 19.55
• TPSA: 514.36 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 26
• Rotatable Bonds: 19
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2166.47
LogP ≤ 5	19.55
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	26

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-(1,4-dimethyl-2-oxo-3-pyridinyl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(6-methoxy-2-methyl-3-pyridinyl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methylidene-1,3-dihydropyrrol-4-yl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(6-methyl-2-methylidene-3H-pyridin-5-yl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methyl-1H-pyrrol-3-yl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;sulfane;trans-(1S,2R)-N-[8-amino-6-(1,4-dimethyl-2-oxo-3-pyridinyl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide?

The IUPAC name of cis-(1S,2S)-N-[8-amino-6-(1,4-dimethyl-2-oxo-3-pyridinyl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(6-methoxy-2-methyl-3-pyridinyl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methylidene-1,3-dihydropyrrol-4-yl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(6-methyl-2-methylidene-3H-pyridin-5-yl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methyl-1H-pyrrol-3-yl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;sulfane;trans-(1S,2R)-N-[8-amino-6-(1,4-dimethyl-2-oxo-3-pyridinyl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide (CID 158970935) is cis-(1S,2S)-N-[8-amino-6-(1,4-dimethyl-2-oxo-3-pyridinyl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(6-methoxy-2-methyl-3-pyridinyl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methylidene-1,3-dihydropyrrol-4-yl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(6-methyl-2-methylidene-3H-pyridin-5-yl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methyl-1H-pyrrol-3-yl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;sulfane;trans-(1S,2R)-N-[8-amino-6-(1,4-dimethyl-2-oxo-3-pyridinyl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide.

What is the SMILES notation for cis-(1S,2S)-N-[8-amino-6-(1,4-dimethyl-2-oxo-3-pyridinyl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(6-methoxy-2-methyl-3-pyridinyl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methylidene-1,3-dihydropyrrol-4-yl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(6-methyl-2-methylidene-3H-pyridin-5-yl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methyl-1H-pyrrol-3-yl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;sulfane;trans-(1S,2R)-N-[8-amino-6-(1,4-dimethyl-2-oxo-3-pyridinyl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide?

The canonical SMILES for cis-(1S,2S)-N-[8-amino-6-(1,4-dimethyl-2-oxo-3-pyridinyl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(6-methoxy-2-methyl-3-pyridinyl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methylidene-1,3-dihydropyrrol-4-yl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(6-methyl-2-methylidene-3H-pyridin-5-yl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methyl-1H-pyrrol-3-yl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;sulfane;trans-(1S,2R)-N-[8-amino-6-(1,4-dimethyl-2-oxo-3-pyridinyl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide is C=C1CC(c2cc(N)c3cnc(NC(=O)[C@@H]4C[C@@H]4F)cc3c2)=CN1.C=C1CC=C(c2cc(N)c3cnc(NC(=O)[C@@H]4C[C@@H]4F)cc3c2)C(C)=N1.COc1ccc(-c2cc(N)c3cnc(NC(=O)[C@@H]4C[C@@H]4F)cc3c2)c(C)n1.Cc1[nH]ccc1-c1cc(N)c2cnc(NC(=O)[C@@H]3C[C@@H]3F)cc2c1.Cc1ccn(C)c(=O)c1-c1cc(N)c2cnc(NC(=O)[C@@H]3C[C@@H]3F)cc2c1.Cc1ccn(C)c(=O)c1-c1cc(N)c2cnc(NC(=O)[C@@H]3C[C@H]3F)cc2c1.S.S.

What is the InChIKey of cis-(1S,2S)-N-[8-amino-6-(1,4-dimethyl-2-oxo-3-pyridinyl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(6-methoxy-2-methyl-3-pyridinyl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methylidene-1,3-dihydropyrrol-4-yl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(6-methyl-2-methylidene-3H-pyridin-5-yl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methyl-1H-pyrrol-3-yl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;sulfane;trans-(1S,2R)-N-[8-amino-6-(1,4-dimethyl-2-oxo-3-pyridinyl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide?

The InChIKey is JNUQTHBYRMMQMT-XUJRVUGISA-N. The full InChI is InChI=1S/3C20H19FN4O2.C20H19FN4O.2C18H17FN4O.2H2S/c1-10-13(3-4-19(24-10)27-2)11-5-12-7-18(23-9-15(12)17(22)6-11)25-20(26)14-8-16(14)21;2*1-10-3-4-25(2)20(27)18(10)12-5-11-7-17(23-9-14(11)16(22)6-12)24-19(26)13-8-15(13)21;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;1-9-2-12(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;;/h3-7,9,14,16H,8,22H2,1-2H3,(H,23,25,26);2*3-7,9,13,15H,8,22H2,1-2H3,(H,23,24,26);4-7,9,15,17H,1,3,8,22H2,2H3,(H,23,25,26);3-5,7-8,13,15,21H,1-2,6,20H2,(H,22,23,24);2-6,8,13,15,21H,7,20H2,1H3,(H,22,23,24);2*1H2/t14-,16+;13-,15+;13-,15-;15-,17+;2*13-,15+;;/m111111../s1.

What are the key properties of cis-(1S,2S)-N-[8-amino-6-(1,4-dimethyl-2-oxo-3-pyridinyl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(6-methoxy-2-methyl-3-pyridinyl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methylidene-1,3-dihydropyrrol-4-yl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(6-methyl-2-methylidene-3H-pyridin-5-yl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methyl-1H-pyrrol-3-yl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;sulfane;trans-(1S,2R)-N-[8-amino-6-(1,4-dimethyl-2-oxo-3-pyridinyl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide?

cis-(1S,2S)-N-[8-amino-6-(1,4-dimethyl-2-oxo-3-pyridinyl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(6-methoxy-2-methyl-3-pyridinyl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methylidene-1,3-dihydropyrrol-4-yl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(6-methyl-2-methylidene-3H-pyridin-5-yl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methyl-1H-pyrrol-3-yl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;sulfane;trans-(1S,2R)-N-[8-amino-6-(1,4-dimethyl-2-oxo-3-pyridinyl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide has a molecular weight of 2166.47 g/mol, XLogP of 19.55, 19 rotatable bonds, 14 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for cis-(1S,2S)-N-[8-amino-6-(1,4-dimethyl-2-oxo-3-pyridinyl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(6-methoxy-2-methyl-3-pyridinyl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methylidene-1,3-dihydropyrrol-4-yl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(6-methyl-2-methylidene-3H-pyridin-5-yl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methyl-1H-pyrrol-3-yl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide;sulfane;trans-(1S,2R)-N-[8-amino-6-(1,4-dimethyl-2-oxo-3-pyridinyl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide is sourced from PubChem (CID 158970935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).