1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1,4-diazepan-5-one;4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine-2-carboxamide;(3S)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide;6-(difluoromethyl)-3-[4-[3-(2H-tetrazol-5-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;N-[[(2S)-4-[2-(6-methylimidazo[1,2-a]pyrazin-3-yl)pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide

C83H84F8N38O7S — CID 158989949

About 1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1,4-diazepan-5-one;4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine-2-carboxamide;(3S)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide;6-(difluoromethyl)-3-[4-[3-(2H-tetrazol-5-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;N-[[(2S)-4-[2-(6-methylimidazo[1,2-a]pyrazin-3-yl)pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide

1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1,4-diazepan-5-one;4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine-2-carboxamide;(3S)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide;6-(difluoromethyl)-3-[4-[3-(2H-tetrazol-5-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;N-[[(2S)-4-[2-(6-methylimidazo[1,2-a]pyrazin-3-yl)pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide (PubChem CID 158989949) has the molecular formula C83H84F8N38O7S and a molecular weight of 1909.89 g/mol. Its IUPAC name is 1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1,4-diazepan-5-one;4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine-2-carboxamide;(3S)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide;6-(difluoromethyl)-3-[4-[3-(2H-tetrazol-5-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;N-[[(2S)-4-[2-(6-methylimidazo[1,2-a]pyrazin-3-yl)pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide.

Molecular Properties

• Compound Name: 1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1,4-diazepan-5-one;4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine-2-carboxamide;(3S)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide;6-(difluoromethyl)-3-[4-[3-(2H-tetrazol-5-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;N-[[(2S)-4-[2-(6-methylimidazo[1,2-a]pyrazin-3-yl)pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide
• PubChem CID: 158989949
• Molecular Formula: C83H84F8N38O7S
• Molecular Weight: 1909.89 g/mol
• Exact Mass: 1908.70
• IUPAC Name: 1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1,4-diazepan-5-one;4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine-2-carboxamide;(3S)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide;6-(difluoromethyl)-3-[4-[3-(2H-tetrazol-5-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;N-[[(2S)-4-[2-(6-methylimidazo[1,2-a]pyrazin-3-yl)pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide
• SMILES: Cc1cn2c(-c3nccc(N4CCO[C@H](CNS(C)(=O)=O)C4)n3)cnc2cn1.FC(F)c1cn2c(-c3nccc(N4CCCC(c5nn[nH]n5)C4)n3)cnc2cn1.NC(=O)C1CN(c2ccnc(-c3cnc4cnc(C(F)F)cn34)n2)CCO1.NC(=O)[C@H]1CCCN(c2ccnc(-c3cnc4cnc(C(F)F)cn34)n2)C1.O=C1CCN(c2ccnc(-c3cnc4cnc(C(F)F)cn34)n2)CCN1
• InChI: InChI=1S/C17H16F2N10.C17H17F2N7O.C17H21N7O3S.C16H15F2N7O2.C16H15F2N7O/c18-15(19)11-9-29-12(6-22-14(29)7-21-11)17-20-4-3-13(23-17)28-5-1-2-10(8-28)16-24-26-27-25-16;18-15(19)11-9-26-12(6-23-14(26)7-22-11)17-21-4-3-13(24-17)25-5-1-2-10(8-25)16(20)27;1-12-10-24-14(8-20-16(24)9-19-12)17-18-4-3-15(22-17)23-5-6-27-13(11-23)7-21-28(2,25)26;17-14(18)9-7-25-10(5-22-13(25)6-21-9)16-20-2-1-12(23-16)24-3-4-27-11(8-24)15(19)26;17-15(18)10-9-25-11(7-22-13(25)8-21-10)16-20-3-1-12(23-16)24-5-2-14(26)19-4-6-24/h3-4,6-7,9-10,15H,1-2,5,8H2,(H,24,25,26,27);3-4,6-7,9-10,15H,1-2,5,8H2,(H2,20,27);3-4,8-10,13,21H,5-7,11H2,1-2H3;1-2,5-7,11,14H,3-4,8H2,(H2,19,26);1,3,7-9,15H,2,4-6H2,(H,19,26)/t;10-;13-;;/m.01../s1
• InChIKey: JQANWFAVCTZFAO-IALDBHINSA-N
• XLogP: 6.36
• TPSA: 530.42 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 40
• Rotatable Bonds: 20
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1909.89
LogP ≤ 5	6.36
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	40

Frequently Asked Questions

What is the IUPAC name of 1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1,4-diazepan-5-one;4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine-2-carboxamide;(3S)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide;6-(difluoromethyl)-3-[4-[3-(2H-tetrazol-5-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;N-[[(2S)-4-[2-(6-methylimidazo[1,2-a]pyrazin-3-yl)pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide?

The IUPAC name of 1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1,4-diazepan-5-one;4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine-2-carboxamide;(3S)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide;6-(difluoromethyl)-3-[4-[3-(2H-tetrazol-5-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;N-[[(2S)-4-[2-(6-methylimidazo[1,2-a]pyrazin-3-yl)pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide (CID 158989949) is 1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1,4-diazepan-5-one;4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine-2-carboxamide;(3S)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide;6-(difluoromethyl)-3-[4-[3-(2H-tetrazol-5-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;N-[[(2S)-4-[2-(6-methylimidazo[1,2-a]pyrazin-3-yl)pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide.

What is the SMILES notation for 1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1,4-diazepan-5-one;4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine-2-carboxamide;(3S)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide;6-(difluoromethyl)-3-[4-[3-(2H-tetrazol-5-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;N-[[(2S)-4-[2-(6-methylimidazo[1,2-a]pyrazin-3-yl)pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide?

The canonical SMILES for 1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1,4-diazepan-5-one;4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine-2-carboxamide;(3S)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide;6-(difluoromethyl)-3-[4-[3-(2H-tetrazol-5-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;N-[[(2S)-4-[2-(6-methylimidazo[1,2-a]pyrazin-3-yl)pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide is Cc1cn2c(-c3nccc(N4CCO[C@H](CNS(C)(=O)=O)C4)n3)cnc2cn1.FC(F)c1cn2c(-c3nccc(N4CCCC(c5nn[nH]n5)C4)n3)cnc2cn1.NC(=O)C1CN(c2ccnc(-c3cnc4cnc(C(F)F)cn34)n2)CCO1.NC(=O)[C@H]1CCCN(c2ccnc(-c3cnc4cnc(C(F)F)cn34)n2)C1.O=C1CCN(c2ccnc(-c3cnc4cnc(C(F)F)cn34)n2)CCN1.

What is the InChIKey of 1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1,4-diazepan-5-one;4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine-2-carboxamide;(3S)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide;6-(difluoromethyl)-3-[4-[3-(2H-tetrazol-5-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;N-[[(2S)-4-[2-(6-methylimidazo[1,2-a]pyrazin-3-yl)pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide?

The InChIKey is JQANWFAVCTZFAO-IALDBHINSA-N. The full InChI is InChI=1S/C17H16F2N10.C17H17F2N7O.C17H21N7O3S.C16H15F2N7O2.C16H15F2N7O/c18-15(19)11-9-29-12(6-22-14(29)7-21-11)17-20-4-3-13(23-17)28-5-1-2-10(8-28)16-24-26-27-25-16;18-15(19)11-9-26-12(6-23-14(26)7-22-11)17-21-4-3-13(24-17)25-5-1-2-10(8-25)16(20)27;1-12-10-24-14(8-20-16(24)9-19-12)17-18-4-3-15(22-17)23-5-6-27-13(11-23)7-21-28(2,25)26;17-14(18)9-7-25-10(5-22-13(25)6-21-9)16-20-2-1-12(23-16)24-3-4-27-11(8-24)15(19)26;17-15(18)10-9-25-11(7-22-13(25)8-21-10)16-20-3-1-12(23-16)24-5-2-14(26)19-4-6-24/h3-4,6-7,9-10,15H,1-2,5,8H2,(H,24,25,26,27);3-4,6-7,9-10,15H,1-2,5,8H2,(H2,20,27);3-4,8-10,13,21H,5-7,11H2,1-2H3;1-2,5-7,11,14H,3-4,8H2,(H2,19,26);1,3,7-9,15H,2,4-6H2,(H,19,26)/t;10-;13-;;/m.01../s1.

What are the key properties of 1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1,4-diazepan-5-one;4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine-2-carboxamide;(3S)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide;6-(difluoromethyl)-3-[4-[3-(2H-tetrazol-5-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;N-[[(2S)-4-[2-(6-methylimidazo[1,2-a]pyrazin-3-yl)pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide?

1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1,4-diazepan-5-one;4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine-2-carboxamide;(3S)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide;6-(difluoromethyl)-3-[4-[3-(2H-tetrazol-5-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;N-[[(2S)-4-[2-(6-methylimidazo[1,2-a]pyrazin-3-yl)pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide has a molecular weight of 1909.89 g/mol, XLogP of 6.36, 20 rotatable bonds, 5 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1,4-diazepan-5-one;4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine-2-carboxamide;(3S)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide;6-(difluoromethyl)-3-[4-[3-(2H-tetrazol-5-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;N-[[(2S)-4-[2-(6-methylimidazo[1,2-a]pyrazin-3-yl)pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide is sourced from PubChem (CID 158989949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).