cis-(1R,2S)-2-fluorocyclopropan-1-amine;deuterio(fluoro)methane;ethyl 6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxylate;ethyl 8-[(4-methoxyphenyl)methyl-methylamino]-6-(pyridin-2-ylamino)imidazo[1,2-b]pyridazine-3-carboxylate;N-[(1R,2S)-2-fluorocyclopropyl]-8-(methylamino)-6-(pyridin-2-ylamino)imidazo[1,2-b]pyridazine-3-carboxamide;8-(methylamino)-6-(pyridin-2-ylamino)imidazo[1,2-b]pyridazine-3-carboxylic acid;pyridin-2-amine

C79H86ClF3N26O9 — CID 159589478

About cis-(1R,2S)-2-fluorocyclopropan-1-amine;deuterio(fluoro)methane;ethyl 6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxylate;ethyl 8-[(4-methoxyphenyl)methyl-methylamino]-6-(pyridin-2-ylamino)imidazo[1,2-b]pyridazine-3-carboxylate;N-[(1R,2S)-2-fluorocyclopropyl]-8-(methylamino)-6-(pyridin-2-ylamino)imidazo[1,2-b]pyridazine-3-carboxamide;8-(methylamino)-6-(pyridin-2-ylamino)imidazo[1,2-b]pyridazine-3-carboxylic acid;pyridin-2-amine

cis-(1R,2S)-2-fluorocyclopropan-1-amine;deuterio(fluoro)methane;ethyl 6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxylate;ethyl 8-[(4-methoxyphenyl)methyl-methylamino]-6-(pyridin-2-ylamino)imidazo[1,2-b]pyridazine-3-carboxylate;N-[(1R,2S)-2-fluorocyclopropyl]-8-(methylamino)-6-(pyridin-2-ylamino)imidazo[1,2-b]pyridazine-3-carboxamide;8-(methylamino)-6-(pyridin-2-ylamino)imidazo[1,2-b]pyridazine-3-carboxylic acid;pyridin-2-amine (PubChem CID 159589478) has the molecular formula C79H86ClF3N26O9 and a molecular weight of 1637.18 g/mol. Its IUPAC name is cis-(1R,2S)-2-fluorocyclopropan-1-amine;deuterio(fluoro)methane;ethyl 6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxylate;ethyl 8-[(4-methoxyphenyl)methyl-methylamino]-6-(pyridin-2-ylamino)imidazo[1,2-b]pyridazine-3-carboxylate;N-[(1R,2S)-2-fluorocyclopropyl]-8-(methylamino)-6-(pyridin-2-ylamino)imidazo[1,2-b]pyridazine-3-carboxamide;8-(methylamino)-6-(pyridin-2-ylamino)imidazo[1,2-b]pyridazine-3-carboxylic acid;pyridin-2-amine.

Molecular Properties

• Compound Name: cis-(1R,2S)-2-fluorocyclopropan-1-amine;deuterio(fluoro)methane;ethyl 6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxylate;ethyl 8-[(4-methoxyphenyl)methyl-methylamino]-6-(pyridin-2-ylamino)imidazo[1,2-b]pyridazine-3-carboxylate;N-[(1R,2S)-2-fluorocyclopropyl]-8-(methylamino)-6-(pyridin-2-ylamino)imidazo[1,2-b]pyridazine-3-carboxamide;8-(methylamino)-6-(pyridin-2-ylamino)imidazo[1,2-b]pyridazine-3-carboxylic acid;pyridin-2-amine
• PubChem CID: 159589478
• Molecular Formula: C79H86ClF3N26O9
• Molecular Weight: 1637.18 g/mol
• Exact Mass: 1635.68
• IUPAC Name: cis-(1R,2S)-2-fluorocyclopropan-1-amine;deuterio(fluoro)methane;ethyl 6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxylate;ethyl 8-[(4-methoxyphenyl)methyl-methylamino]-6-(pyridin-2-ylamino)imidazo[1,2-b]pyridazine-3-carboxylate;N-[(1R,2S)-2-fluorocyclopropyl]-8-(methylamino)-6-(pyridin-2-ylamino)imidazo[1,2-b]pyridazine-3-carboxamide;8-(methylamino)-6-(pyridin-2-ylamino)imidazo[1,2-b]pyridazine-3-carboxylic acid;pyridin-2-amine
• SMILES: CCOC(=O)c1cnc2c(N(C)Cc3ccc(OC)cc3)cc(Cl)nn12.CCOC(=O)c1cnc2c(N(C)Cc3ccc(OC)cc3)cc(Nc3ccccn3)nn12.CNc1cc(Nc2ccccn2)nn2c(C(=O)N[C@@H]3C[C@@H]3F)cnc12.CNc1cc(Nc2ccccn2)nn2c(C(=O)O)cnc12.N[C@@H]1C[C@@H]1F.Nc1ccccn1.[2H]CF
• InChI: InChI=1S/C23H24N6O3.C18H19ClN4O3.C16H16FN7O.C13H12N6O2.C5H6N2.C3H6FN.CH3F/c1-4-32-23(30)19-14-25-22-18(28(2)15-16-8-10-17(31-3)11-9-16)13-21(27-29(19)22)26-20-7-5-6-12-24-20;1-4-26-18(24)15-10-20-17-14(9-16(19)21-23(15)17)22(2)11-12-5-7-13(25-3)8-6-12;1-18-11-7-14(22-13-4-2-3-5-19-13)23-24-12(8-20-15(11)24)16(25)21-10-6-9(10)17;1-14-8-6-11(17-10-4-2-3-5-15-10)18-19-9(13(20)21)7-16-12(8)19;6-5-3-1-2-4-7-5;4-2-1-3(2)5;1-2/h5-14H,4,15H2,1-3H3,(H,24,26,27);5-10H,4,11H2,1-3H3;2-5,7-10,18H,6H2,1H3,(H,21,25)(H,19,22,23);2-7,14H,1H3,(H,20,21)(H,15,17,18);1-4H,(H2,6,7);2-3H,1,5H2;1H3/t;;9-,10+;;;2-,3+;/m..0..0./s1/i;;;;;;1D
• InChIKey: MKAZVIMGIDZQQK-XGAZEHJISA-N
• XLogP: 11.56
• TPSA: 428.45 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 33
• Rotatable Bonds: 23
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1637.18
LogP ≤ 5	11.56
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het_6_tetrazine(18)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-fluorocyclopropan-1-amine;deuterio(fluoro)methane;ethyl 6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxylate;ethyl 8-[(4-methoxyphenyl)methyl-methylamino]-6-(pyridin-2-ylamino)imidazo[1,2-b]pyridazine-3-carboxylate;N-[(1R,2S)-2-fluorocyclopropyl]-8-(methylamino)-6-(pyridin-2-ylamino)imidazo[1,2-b]pyridazine-3-carboxamide;8-(methylamino)-6-(pyridin-2-ylamino)imidazo[1,2-b]pyridazine-3-carboxylic acid;pyridin-2-amine?

The IUPAC name of cis-(1R,2S)-2-fluorocyclopropan-1-amine;deuterio(fluoro)methane;ethyl 6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxylate;ethyl 8-[(4-methoxyphenyl)methyl-methylamino]-6-(pyridin-2-ylamino)imidazo[1,2-b]pyridazine-3-carboxylate;N-[(1R,2S)-2-fluorocyclopropyl]-8-(methylamino)-6-(pyridin-2-ylamino)imidazo[1,2-b]pyridazine-3-carboxamide;8-(methylamino)-6-(pyridin-2-ylamino)imidazo[1,2-b]pyridazine-3-carboxylic acid;pyridin-2-amine (CID 159589478) is cis-(1R,2S)-2-fluorocyclopropan-1-amine;deuterio(fluoro)methane;ethyl 6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxylate;ethyl 8-[(4-methoxyphenyl)methyl-methylamino]-6-(pyridin-2-ylamino)imidazo[1,2-b]pyridazine-3-carboxylate;N-[(1R,2S)-2-fluorocyclopropyl]-8-(methylamino)-6-(pyridin-2-ylamino)imidazo[1,2-b]pyridazine-3-carboxamide;8-(methylamino)-6-(pyridin-2-ylamino)imidazo[1,2-b]pyridazine-3-carboxylic acid;pyridin-2-amine.

What is the SMILES notation for cis-(1R,2S)-2-fluorocyclopropan-1-amine;deuterio(fluoro)methane;ethyl 6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxylate;ethyl 8-[(4-methoxyphenyl)methyl-methylamino]-6-(pyridin-2-ylamino)imidazo[1,2-b]pyridazine-3-carboxylate;N-[(1R,2S)-2-fluorocyclopropyl]-8-(methylamino)-6-(pyridin-2-ylamino)imidazo[1,2-b]pyridazine-3-carboxamide;8-(methylamino)-6-(pyridin-2-ylamino)imidazo[1,2-b]pyridazine-3-carboxylic acid;pyridin-2-amine?

The canonical SMILES for cis-(1R,2S)-2-fluorocyclopropan-1-amine;deuterio(fluoro)methane;ethyl 6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxylate;ethyl 8-[(4-methoxyphenyl)methyl-methylamino]-6-(pyridin-2-ylamino)imidazo[1,2-b]pyridazine-3-carboxylate;N-[(1R,2S)-2-fluorocyclopropyl]-8-(methylamino)-6-(pyridin-2-ylamino)imidazo[1,2-b]pyridazine-3-carboxamide;8-(methylamino)-6-(pyridin-2-ylamino)imidazo[1,2-b]pyridazine-3-carboxylic acid;pyridin-2-amine is CCOC(=O)c1cnc2c(N(C)Cc3ccc(OC)cc3)cc(Cl)nn12.CCOC(=O)c1cnc2c(N(C)Cc3ccc(OC)cc3)cc(Nc3ccccn3)nn12.CNc1cc(Nc2ccccn2)nn2c(C(=O)N[C@@H]3C[C@@H]3F)cnc12.CNc1cc(Nc2ccccn2)nn2c(C(=O)O)cnc12.N[C@@H]1C[C@@H]1F.Nc1ccccn1.[2H]CF.

What is the InChIKey of cis-(1R,2S)-2-fluorocyclopropan-1-amine;deuterio(fluoro)methane;ethyl 6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxylate;ethyl 8-[(4-methoxyphenyl)methyl-methylamino]-6-(pyridin-2-ylamino)imidazo[1,2-b]pyridazine-3-carboxylate;N-[(1R,2S)-2-fluorocyclopropyl]-8-(methylamino)-6-(pyridin-2-ylamino)imidazo[1,2-b]pyridazine-3-carboxamide;8-(methylamino)-6-(pyridin-2-ylamino)imidazo[1,2-b]pyridazine-3-carboxylic acid;pyridin-2-amine?

The InChIKey is MKAZVIMGIDZQQK-XGAZEHJISA-N. The full InChI is InChI=1S/C23H24N6O3.C18H19ClN4O3.C16H16FN7O.C13H12N6O2.C5H6N2.C3H6FN.CH3F/c1-4-32-23(30)19-14-25-22-18(28(2)15-16-8-10-17(31-3)11-9-16)13-21(27-29(19)22)26-20-7-5-6-12-24-20;1-4-26-18(24)15-10-20-17-14(9-16(19)21-23(15)17)22(2)11-12-5-7-13(25-3)8-6-12;1-18-11-7-14(22-13-4-2-3-5-19-13)23-24-12(8-20-15(11)24)16(25)21-10-6-9(10)17;1-14-8-6-11(17-10-4-2-3-5-15-10)18-19-9(13(20)21)7-16-12(8)19;6-5-3-1-2-4-7-5;4-2-1-3(2)5;1-2/h5-14H,4,15H2,1-3H3,(H,24,26,27);5-10H,4,11H2,1-3H3;2-5,7-10,18H,6H2,1H3,(H,21,25)(H,19,22,23);2-7,14H,1H3,(H,20,21)(H,15,17,18);1-4H,(H2,6,7);2-3H,1,5H2;1H3/t;;9-,10+;;;2-,3+;/m..0..0./s1/i;;;;;;1D.

What are the key properties of cis-(1R,2S)-2-fluorocyclopropan-1-amine;deuterio(fluoro)methane;ethyl 6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxylate;ethyl 8-[(4-methoxyphenyl)methyl-methylamino]-6-(pyridin-2-ylamino)imidazo[1,2-b]pyridazine-3-carboxylate;N-[(1R,2S)-2-fluorocyclopropyl]-8-(methylamino)-6-(pyridin-2-ylamino)imidazo[1,2-b]pyridazine-3-carboxamide;8-(methylamino)-6-(pyridin-2-ylamino)imidazo[1,2-b]pyridazine-3-carboxylic acid;pyridin-2-amine?

cis-(1R,2S)-2-fluorocyclopropan-1-amine;deuterio(fluoro)methane;ethyl 6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxylate;ethyl 8-[(4-methoxyphenyl)methyl-methylamino]-6-(pyridin-2-ylamino)imidazo[1,2-b]pyridazine-3-carboxylate;N-[(1R,2S)-2-fluorocyclopropyl]-8-(methylamino)-6-(pyridin-2-ylamino)imidazo[1,2-b]pyridazine-3-carboxamide;8-(methylamino)-6-(pyridin-2-ylamino)imidazo[1,2-b]pyridazine-3-carboxylic acid;pyridin-2-amine has a molecular weight of 1637.18 g/mol, XLogP of 11.56, 23 rotatable bonds, 9 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for cis-(1R,2S)-2-fluorocyclopropan-1-amine;deuterio(fluoro)methane;ethyl 6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxylate;ethyl 8-[(4-methoxyphenyl)methyl-methylamino]-6-(pyridin-2-ylamino)imidazo[1,2-b]pyridazine-3-carboxylate;N-[(1R,2S)-2-fluorocyclopropyl]-8-(methylamino)-6-(pyridin-2-ylamino)imidazo[1,2-b]pyridazine-3-carboxamide;8-(methylamino)-6-(pyridin-2-ylamino)imidazo[1,2-b]pyridazine-3-carboxylic acid;pyridin-2-amine is sourced from PubChem (CID 159589478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).