azane;3-(4-chloropyrimidin-2-yl)-6-(difluoromethyl)imidazo[1,2-a]pyrazine;1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-5-methylpiperidine-3-carboxamide;methane;methyl 1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-5-methylpiperidine-3-carboxylate;methyl 3-methylcyclohexane-1-carboxylate;hydrate

C58H70ClF6N19O6 — CID 159352270

IUPACazane;3-(4-chloropyrimidin-2-yl)-6-(difluoromethyl)imidazo[1,2-a]pyrazine;1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-5-methylpiperidine-3-carboxamide;methane;methyl 1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-5-methylpiperidine-3-carboxylate;methyl 3-methylcyclohexane-1-carboxylate;hydrate
SMILESC.CC1CC(C(N)=O)CN(c2ccnc(-c3cnc4cnc(C(F)F)cn34)n2)C1.COC(=O)C1CC(C)CN(c2ccnc(-c3cnc4cnc(C(F)F)cn34)n2)C1.COC(=O)C1CCCC(C)C1.FC(F)c1cn2c(-c3nccc(Cl)n3)cnc2cn1.N.O
InChIInChI=1S/C19H20F2N6O2.C18H19F2N7O.C11H6ClF2N5.C9H16O2.CH4.H3N.H2O/c1-11-5-12(19(28)29-2)9-26(8-11)15-3-4-22-18(25-15)14-6-24-16-7-23-13(17(20)21)10-27(14)16;1-10-4-11(17(21)28)8-26(7-10)14-2-3-22-18(25-14)13-5-24-15-6-23-12(16(19)20)9-27(13)15;12-8-1-2-15-11(18-8)7-3-17-9-4-16-6(10(13)14)5-19(7)9;1-7-4-3-5-8(6-7)9(10)11-2;;;/h3-4,6-7,10-12,17H,5,8-9H2,1-2H3;2-3,5-6,9-11,16H,4,7-8H2,1H3,(H2,21,28);1-5,10H;7-8H,3-6H2,1-2H3;1H4;1H3;1H2
InChIKeyCDCIPDMYEPXZSK-UHFFFAOYSA-N
MW1278.77 g/mol
LogP9.57
Rot. Bonds11

About azane;3-(4-chloropyrimidin-2-yl)-6-(difluoromethyl)imidazo[1,2-a]pyrazine;1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-5-methylpiperidine-3-carboxamide;methane;methyl 1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-5-methylpiperidine-3-carboxylate;methyl 3-methylcyclohexane-1-carboxylate;hydrate

azane;3-(4-chloropyrimidin-2-yl)-6-(difluoromethyl)imidazo[1,2-a]pyrazine;1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-5-methylpiperidine-3-carboxamide;methane;methyl 1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-5-methylpiperidine-3-carboxylate;methyl 3-methylcyclohexane-1-carboxylate;hydrate (PubChem CID 159352270) has the molecular formula C58H70ClF6N19O6 and a molecular weight of 1278.77 g/mol. Its IUPAC name is azane;3-(4-chloropyrimidin-2-yl)-6-(difluoromethyl)imidazo[1,2-a]pyrazine;1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-5-methylpiperidine-3-carboxamide;methane;methyl 1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-5-methylpiperidine-3-carboxylate;methyl 3-methylcyclohexane-1-carboxylate;hydrate.

Molecular Properties

Compound Nameazane;3-(4-chloropyrimidin-2-yl)-6-(difluoromethyl)imidazo[1,2-a]pyrazine;1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-5-methylpiperidine-3-carboxamide;methane;methyl 1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-5-methylpiperidine-3-carboxylate;methyl 3-methylcyclohexane-1-carboxylate;hydrate
PubChem CID159352270
Molecular FormulaC58H70ClF6N19O6
Molecular Weight1278.77 g/mol
Exact Mass1277.53
IUPAC Nameazane;3-(4-chloropyrimidin-2-yl)-6-(difluoromethyl)imidazo[1,2-a]pyrazine;1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-5-methylpiperidine-3-carboxamide;methane;methyl 1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-5-methylpiperidine-3-carboxylate;methyl 3-methylcyclohexane-1-carboxylate;hydrate
SMILESC.CC1CC(C(N)=O)CN(c2ccnc(-c3cnc4cnc(C(F)F)cn34)n2)C1.COC(=O)C1CC(C)CN(c2ccnc(-c3cnc4cnc(C(F)F)cn34)n2)C1.COC(=O)C1CCCC(C)C1.FC(F)c1cn2c(-c3nccc(Cl)n3)cnc2cn1.N.O
InChIInChI=1S/C19H20F2N6O2.C18H19F2N7O.C11H6ClF2N5.C9H16O2.CH4.H3N.H2O/c1-11-5-12(19(28)29-2)9-26(8-11)15-3-4-22-18(25-15)14-6-24-16-7-23-13(17(20)21)10-27(14)16;1-10-4-11(17(21)28)8-26(7-10)14-2-3-22-18(25-14)13-5-24-15-6-23-12(16(19)20)9-27(13)15;12-8-1-2-15-11(18-8)7-3-17-9-4-16-6(10(13)14)5-19(7)9;1-7-4-3-5-8(6-7)9(10)11-2;;;/h3-4,6-7,10-12,17H,5,8-9H2,1-2H3;2-3,5-6,9-11,16H,4,7-8H2,1H3,(H2,21,28);1-5,10H;7-8H,3-6H2,1-2H3;1H4;1H3;1H2
InChIKeyCDCIPDMYEPXZSK-UHFFFAOYSA-N
XLogP9.57
TPSA336.58 Ų
H-Bond Donors2
H-Bond Acceptors23
Rotatable Bonds11
Heavy Atoms90
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001278.77
LogP ≤ 59.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1023

Analyze azane;3-(4-chloropyrimidin-2-yl)-6-(difluoromethyl)imidazo[1,2-a]pyrazine;1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-5-methylpiperidine-3-carboxamide;methane;methyl 1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-5-methylpiperidine-3-carboxylate;methyl 3-methylcyclohexane-1-carboxylate;hydrate with MolForge

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Frequently Asked Questions

What is the IUPAC name of azane;3-(4-chloropyrimidin-2-yl)-6-(difluoromethyl)imidazo[1,2-a]pyrazine;1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-5-methylpiperidine-3-carboxamide;methane;methyl 1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-5-methylpiperidine-3-carboxylate;methyl 3-methylcyclohexane-1-carboxylate;hydrate?
The IUPAC name of azane;3-(4-chloropyrimidin-2-yl)-6-(difluoromethyl)imidazo[1,2-a]pyrazine;1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-5-methylpiperidine-3-carboxamide;methane;methyl 1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-5-methylpiperidine-3-carboxylate;methyl 3-methylcyclohexane-1-carboxylate;hydrate (CID 159352270) is azane;3-(4-chloropyrimidin-2-yl)-6-(difluoromethyl)imidazo[1,2-a]pyrazine;1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-5-methylpiperidine-3-carboxamide;methane;methyl 1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-5-methylpiperidine-3-carboxylate;methyl 3-methylcyclohexane-1-carboxylate;hydrate.
What is the SMILES notation for azane;3-(4-chloropyrimidin-2-yl)-6-(difluoromethyl)imidazo[1,2-a]pyrazine;1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-5-methylpiperidine-3-carboxamide;methane;methyl 1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-5-methylpiperidine-3-carboxylate;methyl 3-methylcyclohexane-1-carboxylate;hydrate?
The canonical SMILES for azane;3-(4-chloropyrimidin-2-yl)-6-(difluoromethyl)imidazo[1,2-a]pyrazine;1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-5-methylpiperidine-3-carboxamide;methane;methyl 1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-5-methylpiperidine-3-carboxylate;methyl 3-methylcyclohexane-1-carboxylate;hydrate is C.CC1CC(C(N)=O)CN(c2ccnc(-c3cnc4cnc(C(F)F)cn34)n2)C1.COC(=O)C1CC(C)CN(c2ccnc(-c3cnc4cnc(C(F)F)cn34)n2)C1.COC(=O)C1CCCC(C)C1.FC(F)c1cn2c(-c3nccc(Cl)n3)cnc2cn1.N.O.
What is the InChIKey of azane;3-(4-chloropyrimidin-2-yl)-6-(difluoromethyl)imidazo[1,2-a]pyrazine;1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-5-methylpiperidine-3-carboxamide;methane;methyl 1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-5-methylpiperidine-3-carboxylate;methyl 3-methylcyclohexane-1-carboxylate;hydrate?
The InChIKey is CDCIPDMYEPXZSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N6O2.C18H19F2N7O.C11H6ClF2N5.C9H16O2.CH4.H3N.H2O/c1-11-5-12(19(28)29-2)9-26(8-11)15-3-4-22-18(25-15)14-6-24-16-7-23-13(17(20)21)10-27(14)16;1-10-4-11(17(21)28)8-26(7-10)14-2-3-22-18(25-14)13-5-24-15-6-23-12(16(19)20)9-27(13)15;12-8-1-2-15-11(18-8)7-3-17-9-4-16-6(10(13)14)5-19(7)9;1-7-4-3-5-8(6-7)9(10)11-2;;;/h3-4,6-7,10-12,17H,5,8-9H2,1-2H3;2-3,5-6,9-11,16H,4,7-8H2,1H3,(H2,21,28);1-5,10H;7-8H,3-6H2,1-2H3;1H4;1H3;1H2.
What are the key properties of azane;3-(4-chloropyrimidin-2-yl)-6-(difluoromethyl)imidazo[1,2-a]pyrazine;1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-5-methylpiperidine-3-carboxamide;methane;methyl 1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-5-methylpiperidine-3-carboxylate;methyl 3-methylcyclohexane-1-carboxylate;hydrate?
azane;3-(4-chloropyrimidin-2-yl)-6-(difluoromethyl)imidazo[1,2-a]pyrazine;1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-5-methylpiperidine-3-carboxamide;methane;methyl 1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-5-methylpiperidine-3-carboxylate;methyl 3-methylcyclohexane-1-carboxylate;hydrate has a molecular weight of 1278.77 g/mol, XLogP of 9.57, 11 rotatable bonds, 2 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for azane;3-(4-chloropyrimidin-2-yl)-6-(difluoromethyl)imidazo[1,2-a]pyrazine;1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-5-methylpiperidine-3-carboxamide;methane;methyl 1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-5-methylpiperidine-3-carboxylate;methyl 3-methylcyclohexane-1-carboxylate;hydrate is sourced from PubChem (CID 159352270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).