N-[[(3S,5S)-4,4-difluoro-5-methyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]methanesulfonamide;8-methylsulfonyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-1,8-diazaspiro[4.5]decane;2-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine

C60H60F11N19O5S2 — CID 158034092

IUPACN-[[(3S,5S)-4,4-difluoro-5-methyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]methanesulfonamide;8-methylsulfonyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-1,8-diazaspiro[4.5]decane;2-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine
SMILESCS(=O)(=O)N1CCC2(CCCN2c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)CC1.C[C@H]1CN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C[C@@H](CNS(C)(=O)=O)C1(F)F.FC(F)(F)c1ccc2ncc(-c3ccnc(N4CCOC(c5cn[nH]c5)C4)n3)n2c1
InChIInChI=1S/C21H23F3N6O2S.C20H21F5N6O2S.C19H16F3N7O/c1-33(31,32)28-11-7-20(8-12-28)6-2-10-30(20)18-5-9-25-19(27-18)16-13-26-17-4-3-15(14-29(16)17)21(22,23)24;1-12-9-30(10-14(19(12,21)22)7-28-34(2,32)33)17-5-6-26-18(29-17)15-8-27-16-4-3-13(11-31(15)16)20(23,24)25;20-19(21,22)13-1-2-17-24-9-15(29(17)10-13)14-3-4-23-18(27-14)28-5-6-30-16(11-28)12-7-25-26-8-12/h3-5,9,13-14H,2,6-8,10-12H2,1H3;3-6,8,11-12,14,28H,7,9-10H2,1-2H3;1-4,7-10,16H,5-6,11H2,(H,25,26)/t;12-,14+;/m.0./s1
InChIKeyFHNNDBCCKSUGKI-CFMUSILHSA-N
MW1400.38 g/mol
LogP9.38
Rot. Bonds11

About N-[[(3S,5S)-4,4-difluoro-5-methyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]methanesulfonamide;8-methylsulfonyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-1,8-diazaspiro[4.5]decane;2-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine

N-[[(3S,5S)-4,4-difluoro-5-methyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]methanesulfonamide;8-methylsulfonyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-1,8-diazaspiro[4.5]decane;2-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine (PubChem CID 158034092) has the molecular formula C60H60F11N19O5S2 and a molecular weight of 1400.38 g/mol. Its IUPAC name is N-[[(3S,5S)-4,4-difluoro-5-methyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]methanesulfonamide;8-methylsulfonyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-1,8-diazaspiro[4.5]decane;2-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine.

Molecular Properties

Compound NameN-[[(3S,5S)-4,4-difluoro-5-methyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]methanesulfonamide;8-methylsulfonyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-1,8-diazaspiro[4.5]decane;2-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine
PubChem CID158034092
Molecular FormulaC60H60F11N19O5S2
Molecular Weight1400.38 g/mol
Exact Mass1399.43
IUPAC NameN-[[(3S,5S)-4,4-difluoro-5-methyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]methanesulfonamide;8-methylsulfonyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-1,8-diazaspiro[4.5]decane;2-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine
SMILESCS(=O)(=O)N1CCC2(CCCN2c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)CC1.C[C@H]1CN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C[C@@H](CNS(C)(=O)=O)C1(F)F.FC(F)(F)c1ccc2ncc(-c3ccnc(N4CCOC(c5cn[nH]c5)C4)n3)n2c1
InChIInChI=1S/C21H23F3N6O2S.C20H21F5N6O2S.C19H16F3N7O/c1-33(31,32)28-11-7-20(8-12-28)6-2-10-30(20)18-5-9-25-19(27-18)16-13-26-17-4-3-15(14-29(16)17)21(22,23)24;1-12-9-30(10-14(19(12,21)22)7-28-34(2,32)33)17-5-6-26-18(29-17)15-8-27-16-4-3-13(11-31(15)16)20(23,24)25;20-19(21,22)13-1-2-17-24-9-15(29(17)10-13)14-3-4-23-18(27-14)28-5-6-30-16(11-28)12-7-25-26-8-12/h3-5,9,13-14H,2,6-8,10-12H2,1H3;3-6,8,11-12,14,28H,7,9-10H2,1-2H3;1-4,7-10,16H,5-6,11H2,(H,25,26)/t;12-,14+;/m.0./s1
InChIKeyFHNNDBCCKSUGKI-CFMUSILHSA-N
XLogP9.38
TPSA260.42 Ų
H-Bond Donors2
H-Bond Acceptors21
Rotatable Bonds11
Heavy Atoms97
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001400.38
LogP ≤ 59.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1021

Analyze N-[[(3S,5S)-4,4-difluoro-5-methyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]methanesulfonamide;8-methylsulfonyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-1,8-diazaspiro[4.5]decane;2-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[(3S,5S)-4,4-difluoro-5-methyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]methanesulfonamide;8-methylsulfonyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-1,8-diazaspiro[4.5]decane;2-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine?
The IUPAC name of N-[[(3S,5S)-4,4-difluoro-5-methyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]methanesulfonamide;8-methylsulfonyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-1,8-diazaspiro[4.5]decane;2-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine (CID 158034092) is N-[[(3S,5S)-4,4-difluoro-5-methyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]methanesulfonamide;8-methylsulfonyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-1,8-diazaspiro[4.5]decane;2-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine.
What is the SMILES notation for N-[[(3S,5S)-4,4-difluoro-5-methyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]methanesulfonamide;8-methylsulfonyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-1,8-diazaspiro[4.5]decane;2-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine?
The canonical SMILES for N-[[(3S,5S)-4,4-difluoro-5-methyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]methanesulfonamide;8-methylsulfonyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-1,8-diazaspiro[4.5]decane;2-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine is CS(=O)(=O)N1CCC2(CCCN2c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)CC1.C[C@H]1CN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C[C@@H](CNS(C)(=O)=O)C1(F)F.FC(F)(F)c1ccc2ncc(-c3ccnc(N4CCOC(c5cn[nH]c5)C4)n3)n2c1.
What is the InChIKey of N-[[(3S,5S)-4,4-difluoro-5-methyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]methanesulfonamide;8-methylsulfonyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-1,8-diazaspiro[4.5]decane;2-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine?
The InChIKey is FHNNDBCCKSUGKI-CFMUSILHSA-N. The full InChI is InChI=1S/C21H23F3N6O2S.C20H21F5N6O2S.C19H16F3N7O/c1-33(31,32)28-11-7-20(8-12-28)6-2-10-30(20)18-5-9-25-19(27-18)16-13-26-17-4-3-15(14-29(16)17)21(22,23)24;1-12-9-30(10-14(19(12,21)22)7-28-34(2,32)33)17-5-6-26-18(29-17)15-8-27-16-4-3-13(11-31(15)16)20(23,24)25;20-19(21,22)13-1-2-17-24-9-15(29(17)10-13)14-3-4-23-18(27-14)28-5-6-30-16(11-28)12-7-25-26-8-12/h3-5,9,13-14H,2,6-8,10-12H2,1H3;3-6,8,11-12,14,28H,7,9-10H2,1-2H3;1-4,7-10,16H,5-6,11H2,(H,25,26)/t;12-,14+;/m.0./s1.
What are the key properties of N-[[(3S,5S)-4,4-difluoro-5-methyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]methanesulfonamide;8-methylsulfonyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-1,8-diazaspiro[4.5]decane;2-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine?
N-[[(3S,5S)-4,4-difluoro-5-methyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]methanesulfonamide;8-methylsulfonyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-1,8-diazaspiro[4.5]decane;2-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine has a molecular weight of 1400.38 g/mol, XLogP of 9.38, 11 rotatable bonds, 2 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S,5S)-4,4-difluoro-5-methyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]methanesulfonamide;8-methylsulfonyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-1,8-diazaspiro[4.5]decane;2-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine is sourced from PubChem (CID 158034092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).