deuterio(fluoro)methane;2-[[2-ethyl-6-[6-[4-(1-methylazetidine-3-carbonyl)piperazin-1-yl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-6-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;1-methylazetidine-3-carboxylic acid

C69H73F3N18O3S2 — CID 165094049

About deuterio(fluoro)methane;2-[[2-ethyl-6-[6-[4-(1-methylazetidine-3-carbonyl)piperazin-1-yl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-6-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;1-methylazetidine-3-carboxylic acid

deuterio(fluoro)methane;2-[[2-ethyl-6-[6-[4-(1-methylazetidine-3-carbonyl)piperazin-1-yl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-6-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;1-methylazetidine-3-carboxylic acid (PubChem CID 165094049) has the molecular formula C69H73F3N18O3S2 and a molecular weight of 1324.60 g/mol. Its IUPAC name is deuterio(fluoro)methane;2-[[2-ethyl-6-[6-[4-(1-methylazetidine-3-carbonyl)piperazin-1-yl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-6-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;1-methylazetidine-3-carboxylic acid.

Molecular Properties

• Compound Name: deuterio(fluoro)methane;2-[[2-ethyl-6-[6-[4-(1-methylazetidine-3-carbonyl)piperazin-1-yl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-6-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;1-methylazetidine-3-carboxylic acid
• PubChem CID: 165094049
• Molecular Formula: C69H73F3N18O3S2
• Molecular Weight: 1324.60 g/mol
• Exact Mass: 1323.56
• IUPAC Name: deuterio(fluoro)methane;2-[[2-ethyl-6-[6-[4-(1-methylazetidine-3-carbonyl)piperazin-1-yl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-6-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;1-methylazetidine-3-carboxylic acid
• SMILES: CCc1nc2ccc(-c3ccc(N4CCN(C(=O)C5CN(C)C5)CC4)nc3)cn2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.CCc1nc2ccc(-c3ccc(N4CCNCC4)nc3)cn2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.CN1CC(C(=O)O)C1.[2H]CF
• InChI: InChI=1S/C34H34FN9OS.C29H27FN8S.C5H9NO2.CH3F/c1-4-27-32(41(3)34-39-31(28(17-36)46-34)22-5-9-26(35)10-6-22)44-21-24(8-12-30(44)38-27)23-7-11-29(37-18-23)42-13-15-43(16-14-42)33(45)25-19-40(2)20-25;1-3-23-28(36(2)29-35-27(24(16-31)39-29)19-4-8-22(30)9-5-19)38-18-21(7-11-26(38)34-23)20-6-10-25(33-17-20)37-14-12-32-13-15-37;1-6-2-4(3-6)5(7)8;1-2/h5-12,18,21,25H,4,13-16,19-20H2,1-3H3;4-11,17-18,32H,3,12-15H2,1-2H3;4H,2-3H2,1H3,(H,7,8);1H3/i;;;1D
• InChIKey: XEWSWDRZZIFYFO-PBJKEDEQSA-N
• XLogP: 10.56
• TPSA: 222.82 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 21
• Rotatable Bonds: 14
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1324.60
LogP ≤ 5	10.56
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of deuterio(fluoro)methane;2-[[2-ethyl-6-[6-[4-(1-methylazetidine-3-carbonyl)piperazin-1-yl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-6-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;1-methylazetidine-3-carboxylic acid?

The IUPAC name of deuterio(fluoro)methane;2-[[2-ethyl-6-[6-[4-(1-methylazetidine-3-carbonyl)piperazin-1-yl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-6-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;1-methylazetidine-3-carboxylic acid (CID 165094049) is deuterio(fluoro)methane;2-[[2-ethyl-6-[6-[4-(1-methylazetidine-3-carbonyl)piperazin-1-yl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-6-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;1-methylazetidine-3-carboxylic acid.

What is the SMILES notation for deuterio(fluoro)methane;2-[[2-ethyl-6-[6-[4-(1-methylazetidine-3-carbonyl)piperazin-1-yl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-6-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;1-methylazetidine-3-carboxylic acid?

The canonical SMILES for deuterio(fluoro)methane;2-[[2-ethyl-6-[6-[4-(1-methylazetidine-3-carbonyl)piperazin-1-yl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-6-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;1-methylazetidine-3-carboxylic acid is CCc1nc2ccc(-c3ccc(N4CCN(C(=O)C5CN(C)C5)CC4)nc3)cn2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.CCc1nc2ccc(-c3ccc(N4CCNCC4)nc3)cn2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.CN1CC(C(=O)O)C1.[2H]CF.

What is the InChIKey of deuterio(fluoro)methane;2-[[2-ethyl-6-[6-[4-(1-methylazetidine-3-carbonyl)piperazin-1-yl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-6-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;1-methylazetidine-3-carboxylic acid?

The InChIKey is XEWSWDRZZIFYFO-PBJKEDEQSA-N. The full InChI is InChI=1S/C34H34FN9OS.C29H27FN8S.C5H9NO2.CH3F/c1-4-27-32(41(3)34-39-31(28(17-36)46-34)22-5-9-26(35)10-6-22)44-21-24(8-12-30(44)38-27)23-7-11-29(37-18-23)42-13-15-43(16-14-42)33(45)25-19-40(2)20-25;1-3-23-28(36(2)29-35-27(24(16-31)39-29)19-4-8-22(30)9-5-19)38-18-21(7-11-26(38)34-23)20-6-10-25(33-17-20)37-14-12-32-13-15-37;1-6-2-4(3-6)5(7)8;1-2/h5-12,18,21,25H,4,13-16,19-20H2,1-3H3;4-11,17-18,32H,3,12-15H2,1-2H3;4H,2-3H2,1H3,(H,7,8);1H3/i;;;1D.

What are the key properties of deuterio(fluoro)methane;2-[[2-ethyl-6-[6-[4-(1-methylazetidine-3-carbonyl)piperazin-1-yl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-6-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;1-methylazetidine-3-carboxylic acid?

deuterio(fluoro)methane;2-[[2-ethyl-6-[6-[4-(1-methylazetidine-3-carbonyl)piperazin-1-yl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-6-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;1-methylazetidine-3-carboxylic acid has a molecular weight of 1324.60 g/mol, XLogP of 10.56, 14 rotatable bonds, 2 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for deuterio(fluoro)methane;2-[[2-ethyl-6-[6-[4-(1-methylazetidine-3-carbonyl)piperazin-1-yl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-6-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;1-methylazetidine-3-carboxylic acid is sourced from PubChem (CID 165094049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).