methane;2-[2-[2-[2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-[(1-piperidin-4-ylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide

C51H64F6N12O2 — CID 157214570

About methane;2-[2-[2-[2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-[(1-piperidin-4-ylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide

methane;2-[2-[2-[2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-[(1-piperidin-4-ylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide (PubChem CID 157214570) has the molecular formula C51H64F6N12O2 and a molecular weight of 991.14 g/mol. Its IUPAC name is methane;2-[2-[2-[2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-[(1-piperidin-4-ylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide.

Molecular Properties

• Compound Name: methane;2-[2-[2-[2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-[(1-piperidin-4-ylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide
• PubChem CID: 157214570
• Molecular Formula: C51H64F6N12O2
• Molecular Weight: 991.14 g/mol
• Exact Mass: 990.52
• IUPAC Name: methane;2-[2-[2-[2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-[(1-piperidin-4-ylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide
• SMILES: C.C.CN1CCC(n2cc(Cc3ncc(C(F)(F)F)c(CCc4ccccc4CC(N)=O)n3)cn2)CC1.NC(=O)Cc1ccccc1CCc1nc(Cc2cnn(C3CCNCC3)c2)ncc1C(F)(F)F
• InChI: InChI=1S/C25H29F3N6O.C24H27F3N6O.2CH4/c1-33-10-8-20(9-11-33)34-16-17(14-31-34)12-24-30-15-21(25(26,27)28)22(32-24)7-6-18-4-2-3-5-19(18)13-23(29)35;25-24(26,27)20-14-30-23(11-16-13-31-33(15-16)19-7-9-29-10-8-19)32-21(20)6-5-17-3-1-2-4-18(17)12-22(28)34;;/h2-5,14-16,20H,6-13H2,1H3,(H2,29,35);1-4,13-15,19,29H,5-12H2,(H2,28,34);2*1H4
• InChIKey: ASGQEGGAZKMFAV-UHFFFAOYSA-N
• XLogP: 7.65
• TPSA: 188.65 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 16
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	991.14
LogP ≤ 5	7.65
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of methane;2-[2-[2-[2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-[(1-piperidin-4-ylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide?

The IUPAC name of methane;2-[2-[2-[2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-[(1-piperidin-4-ylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide (CID 157214570) is methane;2-[2-[2-[2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-[(1-piperidin-4-ylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide.

What is the SMILES notation for methane;2-[2-[2-[2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-[(1-piperidin-4-ylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide?

The canonical SMILES for methane;2-[2-[2-[2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-[(1-piperidin-4-ylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide is C.C.CN1CCC(n2cc(Cc3ncc(C(F)(F)F)c(CCc4ccccc4CC(N)=O)n3)cn2)CC1.NC(=O)Cc1ccccc1CCc1nc(Cc2cnn(C3CCNCC3)c2)ncc1C(F)(F)F.

What is the InChIKey of methane;2-[2-[2-[2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-[(1-piperidin-4-ylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide?

The InChIKey is ASGQEGGAZKMFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29F3N6O.C24H27F3N6O.2CH4/c1-33-10-8-20(9-11-33)34-16-17(14-31-34)12-24-30-15-21(25(26,27)28)22(32-24)7-6-18-4-2-3-5-19(18)13-23(29)35;25-24(26,27)20-14-30-23(11-16-13-31-33(15-16)19-7-9-29-10-8-19)32-21(20)6-5-17-3-1-2-4-18(17)12-22(28)34;;/h2-5,14-16,20H,6-13H2,1H3,(H2,29,35);1-4,13-15,19,29H,5-12H2,(H2,28,34);2*1H4.

What are the key properties of methane;2-[2-[2-[2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-[(1-piperidin-4-ylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide?

methane;2-[2-[2-[2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-[(1-piperidin-4-ylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide has a molecular weight of 991.14 g/mol, XLogP of 7.65, 16 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for methane;2-[2-[2-[2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-[(1-piperidin-4-ylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide is sourced from PubChem (CID 157214570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).