N-[1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-5-(trifluoromethyl)piperidin-3-yl]methanesulfonamide;3-[4-[(2S,3S)-2-methyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[(2S,3R)-2-methyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[(3S)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[(3R)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine

C97H91F17N38O2S — CID 162071029

IUPACN-[1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-5-(trifluoromethyl)piperidin-3-yl]methanesulfonamide;3-[4-[(2S,3S)-2-methyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[(2S,3R)-2-methyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[(3S)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[(3R)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
SMILESCS(=O)(=O)NC1CC(C(F)(F)F)CN(c2ccnc(-c3cnc4ccc(C(F)F)cn34)n2)C1.C[C@H]1[C@@H](c2cn[nH]c2)NCCN1c1ccnc(-c2cnc3ccc(C(F)(F)F)cn23)n1.C[C@H]1[C@H](c2cn[nH]c2)NCCN1c1ccnc(-c2cnc3ccc(C(F)(F)F)cn23)n1.FC(F)(F)c1ccc2ncc(-c3nccc(N4CCN[C@@H](c5cn[nH]c5)C4)n3)n2c1.FC(F)(F)c1ccc2ncc(-c3nccc(N4CCN[C@H](c5cn[nH]c5)C4)n3)n2c1
InChIInChI=1S/2C20H19F3N8.C19H19F5N6O2S.2C19H17F3N8/c2*1-12-18(13-8-27-28-9-13)24-6-7-30(12)17-4-5-25-19(29-17)15-10-26-16-3-2-14(11-31(15)16)20(21,22)23;1-33(31,32)28-13-6-12(19(22,23)24)9-29(10-13)16-4-5-25-18(27-16)14-7-26-15-3-2-11(17(20)21)8-30(14)15;2*20-19(21,22)13-1-2-16-25-9-15(30(16)10-13)18-24-4-3-17(28-18)29-6-5-23-14(11-29)12-7-26-27-8-12/h2*2-5,8-12,18,24H,6-7H2,1H3,(H,27,28);2-5,7-8,12-13,17,28H,6,9-10H2,1H3;2*1-4,7-10,14,23H,5-6,11H2,(H,26,27)/t12-,18+;12-,18-;;2*14-/m00.10/s1
InChIKeyZBBUIMPNTYCURK-LZLCZQLRSA-N
MW2176.09 g/mol
LogP14.55
Rot. Bonds17

About N-[1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-5-(trifluoromethyl)piperidin-3-yl]methanesulfonamide;3-[4-[(2S,3S)-2-methyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[(2S,3R)-2-methyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[(3S)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[(3R)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine

N-[1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-5-(trifluoromethyl)piperidin-3-yl]methanesulfonamide;3-[4-[(2S,3S)-2-methyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[(2S,3R)-2-methyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[(3S)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[(3R)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine (PubChem CID 162071029) has the molecular formula C97H91F17N38O2S and a molecular weight of 2176.09 g/mol. Its IUPAC name is N-[1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-5-(trifluoromethyl)piperidin-3-yl]methanesulfonamide;3-[4-[(2S,3S)-2-methyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[(2S,3R)-2-methyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[(3S)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[(3R)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound NameN-[1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-5-(trifluoromethyl)piperidin-3-yl]methanesulfonamide;3-[4-[(2S,3S)-2-methyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[(2S,3R)-2-methyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[(3S)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[(3R)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
PubChem CID162071029
Molecular FormulaC97H91F17N38O2S
Molecular Weight2176.09 g/mol
Exact Mass2174.76
IUPAC NameN-[1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-5-(trifluoromethyl)piperidin-3-yl]methanesulfonamide;3-[4-[(2S,3S)-2-methyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[(2S,3R)-2-methyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[(3S)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[(3R)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
SMILESCS(=O)(=O)NC1CC(C(F)(F)F)CN(c2ccnc(-c3cnc4ccc(C(F)F)cn34)n2)C1.C[C@H]1[C@@H](c2cn[nH]c2)NCCN1c1ccnc(-c2cnc3ccc(C(F)(F)F)cn23)n1.C[C@H]1[C@H](c2cn[nH]c2)NCCN1c1ccnc(-c2cnc3ccc(C(F)(F)F)cn23)n1.FC(F)(F)c1ccc2ncc(-c3nccc(N4CCN[C@@H](c5cn[nH]c5)C4)n3)n2c1.FC(F)(F)c1ccc2ncc(-c3nccc(N4CCN[C@H](c5cn[nH]c5)C4)n3)n2c1
InChIInChI=1S/2C20H19F3N8.C19H19F5N6O2S.2C19H17F3N8/c2*1-12-18(13-8-27-28-9-13)24-6-7-30(12)17-4-5-25-19(29-17)15-10-26-16-3-2-14(11-31(15)16)20(21,22)23;1-33(31,32)28-13-6-12(19(22,23)24)9-29(10-13)16-4-5-25-18(27-16)14-7-26-15-3-2-11(17(20)21)8-30(14)15;2*20-19(21,22)13-1-2-16-25-9-15(30(16)10-13)18-24-4-3-17(28-18)29-6-5-23-14(11-29)12-7-26-27-8-12/h2*2-5,8-12,18,24H,6-7H2,1H3,(H,27,28);2-5,7-8,12-13,17,28H,6,9-10H2,1H3;2*1-4,7-10,14,23H,5-6,11H2,(H,26,27)/t12-,18+;12-,18-;;2*14-/m00.10/s1
InChIKeyZBBUIMPNTYCURK-LZLCZQLRSA-N
XLogP14.55
TPSA440.61 Ų
H-Bond Donors9
H-Bond Acceptors35
Rotatable Bonds17
Heavy Atoms155
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002176.09
LogP ≤ 514.55
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1035

Analyze N-[1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-5-(trifluoromethyl)piperidin-3-yl]methanesulfonamide;3-[4-[(2S,3S)-2-methyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[(2S,3R)-2-methyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[(3S)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[(3R)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-5-(trifluoromethyl)piperidin-3-yl]methanesulfonamide;3-[4-[(2S,3S)-2-methyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[(2S,3R)-2-methyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[(3S)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[(3R)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine?
The IUPAC name of N-[1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-5-(trifluoromethyl)piperidin-3-yl]methanesulfonamide;3-[4-[(2S,3S)-2-methyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[(2S,3R)-2-methyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[(3S)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[(3R)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine (CID 162071029) is N-[1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-5-(trifluoromethyl)piperidin-3-yl]methanesulfonamide;3-[4-[(2S,3S)-2-methyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[(2S,3R)-2-methyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[(3S)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[(3R)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for N-[1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-5-(trifluoromethyl)piperidin-3-yl]methanesulfonamide;3-[4-[(2S,3S)-2-methyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[(2S,3R)-2-methyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[(3S)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[(3R)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine?
The canonical SMILES for N-[1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-5-(trifluoromethyl)piperidin-3-yl]methanesulfonamide;3-[4-[(2S,3S)-2-methyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[(2S,3R)-2-methyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[(3S)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[(3R)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine is CS(=O)(=O)NC1CC(C(F)(F)F)CN(c2ccnc(-c3cnc4ccc(C(F)F)cn34)n2)C1.C[C@H]1[C@@H](c2cn[nH]c2)NCCN1c1ccnc(-c2cnc3ccc(C(F)(F)F)cn23)n1.C[C@H]1[C@H](c2cn[nH]c2)NCCN1c1ccnc(-c2cnc3ccc(C(F)(F)F)cn23)n1.FC(F)(F)c1ccc2ncc(-c3nccc(N4CCN[C@@H](c5cn[nH]c5)C4)n3)n2c1.FC(F)(F)c1ccc2ncc(-c3nccc(N4CCN[C@H](c5cn[nH]c5)C4)n3)n2c1.
What is the InChIKey of N-[1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-5-(trifluoromethyl)piperidin-3-yl]methanesulfonamide;3-[4-[(2S,3S)-2-methyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[(2S,3R)-2-methyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[(3S)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[(3R)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine?
The InChIKey is ZBBUIMPNTYCURK-LZLCZQLRSA-N. The full InChI is InChI=1S/2C20H19F3N8.C19H19F5N6O2S.2C19H17F3N8/c2*1-12-18(13-8-27-28-9-13)24-6-7-30(12)17-4-5-25-19(29-17)15-10-26-16-3-2-14(11-31(15)16)20(21,22)23;1-33(31,32)28-13-6-12(19(22,23)24)9-29(10-13)16-4-5-25-18(27-16)14-7-26-15-3-2-11(17(20)21)8-30(14)15;2*20-19(21,22)13-1-2-16-25-9-15(30(16)10-13)18-24-4-3-17(28-18)29-6-5-23-14(11-29)12-7-26-27-8-12/h2*2-5,8-12,18,24H,6-7H2,1H3,(H,27,28);2-5,7-8,12-13,17,28H,6,9-10H2,1H3;2*1-4,7-10,14,23H,5-6,11H2,(H,26,27)/t12-,18+;12-,18-;;2*14-/m00.10/s1.
What are the key properties of N-[1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-5-(trifluoromethyl)piperidin-3-yl]methanesulfonamide;3-[4-[(2S,3S)-2-methyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[(2S,3R)-2-methyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[(3S)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[(3R)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine?
N-[1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-5-(trifluoromethyl)piperidin-3-yl]methanesulfonamide;3-[4-[(2S,3S)-2-methyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[(2S,3R)-2-methyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[(3S)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[(3R)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine has a molecular weight of 2176.09 g/mol, XLogP of 14.55, 17 rotatable bonds, 9 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-5-(trifluoromethyl)piperidin-3-yl]methanesulfonamide;3-[4-[(2S,3S)-2-methyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[(2S,3R)-2-methyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[(3S)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[(3R)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 162071029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).