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

C49H56F6N12O2 — CID 158341764

IUPAC2-[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
SMILESCN1CCC(n2cc(Cc3ncc(C(F)(F)F)c(CCc4ccccc4CC(N)=O)n3)cn2)CC1.NC(=O)Cc1ccccc1CCc1nc(Cc2cnn(C3CCNCC3)c2)ncc1C(F)(F)F
InChIInChI=1S/C25H29F3N6O.C24H27F3N6O/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)
InChIKeyGRGDAEUHXRCDDX-UHFFFAOYSA-N
MW959.06 g/mol
LogP6.38
Rot. Bonds16

About 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

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 158341764) has the molecular formula C49H56F6N12O2 and a molecular weight of 959.06 g/mol. Its IUPAC name is 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 Name2-[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 CID158341764
Molecular FormulaC49H56F6N12O2
Molecular Weight959.06 g/mol
Exact Mass958.46
IUPAC Name2-[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
SMILESCN1CCC(n2cc(Cc3ncc(C(F)(F)F)c(CCc4ccccc4CC(N)=O)n3)cn2)CC1.NC(=O)Cc1ccccc1CCc1nc(Cc2cnn(C3CCNCC3)c2)ncc1C(F)(F)F
InChIInChI=1S/C25H29F3N6O.C24H27F3N6O/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)
InChIKeyGRGDAEUHXRCDDX-UHFFFAOYSA-N
XLogP6.38
TPSA188.65 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds16
Heavy Atoms69
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500959.06
LogP ≤ 56.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Analyze 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 with MolForge

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Related Compounds

2-(2-(2-((1-(piperidin-4-yl)-1H-pyrazol-4-yl)amino)-5-(trifluoromethyl)pyrimidin-4-ylethyl)phenyl)propanamide
CID 73295123
2-(2-(2-(2-((1-(1-Methylpiperidin-4-yl)-1H-pyrazol-4-yl)amino)-5-(trifluoromethyl)pyrimidin-4-yl)ethyl)phenyl)propanamide
CID 73295292
2-(2-(2-(2-((1-(1-Acetylpiperidin-4-yl)-1H-pyrazol-4-yl)amino)-5-(trifluoromethyl)pyrimidin-4-yl)ethyl)phenyl)propanamide
CID 73295293
2-(2-(2-(2-((1-(1-Ethylpiperidin-4-yl)-1H-pyrazol-4-yl)amino)-5-(trifluoromethyl)pyrimidin-4-yl)ethyl)phenyl)propanamide
CID 73295294
2-(2-(2-(2-((1-(1-Isopropylpiperidin-4-yl)-1H-pyrazol-4-yl)amino)-5-(trifluoromethyl)pyrimidin-4-yl)ethyl)phenyl)propanamide
CID 73295295
(2R)-2-[2-[2-[2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide
CID 89995349
(2S)-2-[2-[2-[2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide
CID 89995350
(2R)-2-[2-[2-[2-[(1-piperidin-4-ylpyrazol-4-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide
CID 89995351
(2S)-2-[2-[2-[2-[(1-piperidin-4-ylpyrazol-4-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide
CID 89995352
[4-[[5-[4-Methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]-[2-(1,2,4-triazol-1-ylmethyl)phenyl]methanone
CID 119098951
[4-[[5-[4-Methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]-[3-(pyrazol-1-ylmethyl)phenyl]methanone
CID 119098954
[4-[[5-[4-Methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]-(3-pyrazol-1-ylphenyl)methanone
CID 119098961

Frequently Asked Questions

What is the IUPAC name of 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 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 158341764) is 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 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 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 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 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 GRGDAEUHXRCDDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29F3N6O.C24H27F3N6O/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).
What are the key properties of 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?
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 959.06 g/mol, XLogP of 6.38, 16 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 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 158341764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).