2-[2-[2-[2-[[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide

C27H34F3N7O — CID 73295295

IUPAC2-[2-[2-[2-[[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide
SMILESCC(C(N)=O)c1ccccc1CCc1nc(Nc2cnn(C3CCN(C(C)C)CC3)c2)ncc1C(F)(F)F
InChIInChI=1S/C27H34F3N7O/c1-17(2)36-12-10-21(11-13-36)37-16-20(14-33-37)34-26-32-15-23(27(28,29)30)24(35-26)9-8-19-6-4-5-7-22(19)18(3)25(31)38/h4-7,14-18,21H,8-13H2,1-3H3,(H2,31,38)(H,32,34,35)
InChIKeyDNXYDLQSAQHEQD-UHFFFAOYSA-N
MW529.61 g/mol
LogP4.85
Rot. Bonds9

About 2-[2-[2-[2-[[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide

2-[2-[2-[2-[[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide (PubChem CID 73295295) has the molecular formula C27H34F3N7O and a molecular weight of 529.61 g/mol. Its IUPAC name is 2-[2-[2-[2-[[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide.

Molecular Properties

Compound Name2-[2-[2-[2-[[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide
PubChem CID73295295
Molecular FormulaC27H34F3N7O
Molecular Weight529.61 g/mol
Exact Mass529.28
IUPAC Name2-[2-[2-[2-[[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide
SMILESCC(C(N)=O)c1ccccc1CCc1nc(Nc2cnn(C3CCN(C(C)C)CC3)c2)ncc1C(F)(F)F
InChIInChI=1S/C27H34F3N7O/c1-17(2)36-12-10-21(11-13-36)37-16-20(14-33-37)34-26-32-15-23(27(28,29)30)24(35-26)9-8-19-6-4-5-7-22(19)18(3)25(31)38/h4-7,14-18,21H,8-13H2,1-3H3,(H2,31,38)(H,32,34,35)
InChIKeyDNXYDLQSAQHEQD-UHFFFAOYSA-N
XLogP4.85
TPSA101.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.61
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[2-[2-[2-[[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-cyclopropyl-N-[3-(dimethylcarbamoyl)-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 84973158
Jak2-IN-7
CID 155925850
3-[4-(2-aminopyrimidin-5-yl)triazol-1-yl]-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide
CID 71455364
1-[[4-[2-[[1-(2-Hydroxyethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]-2-(trifluoromethyl)phenyl]methyl]-4-(2-methylpropyl)piperazin-2-one
CID 118139347
3-tert-butyl-N-[[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]methyl]pyrrolidine-1-carboxamide
CID 118139435
N-[2-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-3-propan-2-ylpyrrolidine-1-carboxamide
CID 118139808
CID 140749041
CID 140749041
N-[2-(Methylamino)-2-Oxidanylidene-Ethyl]-2-(4-Pyrazol-1-Ylphenyl)-N-(1-Pyridin-2-Ylpiperidin-4-Yl)ethanamide
CID 122391195
4-methyl-3-[4-[2-(methylamino)pyrimidin-5-yl]triazol-1-yl]-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide
CID 71453635
3-[4-[2-(cyclopropylamino)pyrimidin-5-yl]triazol-1-yl]-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide
CID 71453636
3-[4-[2-(ethylamino)pyrimidin-5-yl]triazol-1-yl]-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide
CID 71455365
[6-methyl-3-(4-methylpyrazol-1-yl)-2-pyridinyl]-[(1R,4S,6R)-4-[[[5-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone
CID 73352183

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide?
The IUPAC name of 2-[2-[2-[2-[[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide (CID 73295295) is 2-[2-[2-[2-[[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide.
What is the SMILES notation for 2-[2-[2-[2-[[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide?
The canonical SMILES for 2-[2-[2-[2-[[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide is CC(C(N)=O)c1ccccc1CCc1nc(Nc2cnn(C3CCN(C(C)C)CC3)c2)ncc1C(F)(F)F.
What is the InChIKey of 2-[2-[2-[2-[[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide?
The InChIKey is DNXYDLQSAQHEQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34F3N7O/c1-17(2)36-12-10-21(11-13-36)37-16-20(14-33-37)34-26-32-15-23(27(28,29)30)24(35-26)9-8-19-6-4-5-7-22(19)18(3)25(31)38/h4-7,14-18,21H,8-13H2,1-3H3,(H2,31,38)(H,32,34,35).
What are the key properties of 2-[2-[2-[2-[[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide?
2-[2-[2-[2-[[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide has a molecular weight of 529.61 g/mol, XLogP of 4.85, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide is sourced from PubChem (CID 73295295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).