1-[2-[[4-[(4-aminocyclohexyl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-hydroxy-2-methylpropan-1-one

C23H30F3N7O2 — CID 169102788

IUPAC1-[2-[[4-[(4-aminocyclohexyl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-hydroxy-2-methylpropan-1-one
SMILESCC(C)(O)C(=O)N1CCc2nc(Nc3ncc(C(F)(F)F)c(NC4CCC(N)CC4)n3)ccc2C1
InChIInChI=1S/C23H30F3N7O2/c1-22(2,35)20(34)33-10-9-17-13(12-33)3-8-18(30-17)31-21-28-11-16(23(24,25)26)19(32-21)29-15-6-4-14(27)5-7-15/h3,8,11,14-15,35H,4-7,9-10,12,27H2,1-2H3,(H2,28,29,30,31,32)
InChIKeyUTOOTASPOOSERC-UHFFFAOYSA-N
MW493.53 g/mol
LogP2.97
Rot. Bonds5

About 1-[2-[[4-[(4-aminocyclohexyl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-hydroxy-2-methylpropan-1-one

1-[2-[[4-[(4-aminocyclohexyl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-hydroxy-2-methylpropan-1-one (PubChem CID 169102788) has the molecular formula C23H30F3N7O2 and a molecular weight of 493.53 g/mol. Its IUPAC name is 1-[2-[[4-[(4-aminocyclohexyl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-hydroxy-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[2-[[4-[(4-aminocyclohexyl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-hydroxy-2-methylpropan-1-one
PubChem CID169102788
Molecular FormulaC23H30F3N7O2
Molecular Weight493.53 g/mol
Exact Mass493.24
IUPAC Name1-[2-[[4-[(4-aminocyclohexyl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-hydroxy-2-methylpropan-1-one
SMILESCC(C)(O)C(=O)N1CCc2nc(Nc3ncc(C(F)(F)F)c(NC4CCC(N)CC4)n3)ccc2C1
InChIInChI=1S/C23H30F3N7O2/c1-22(2,35)20(34)33-10-9-17-13(12-33)3-8-18(30-17)31-21-28-11-16(23(24,25)26)19(32-21)29-15-6-4-14(27)5-7-15/h3,8,11,14-15,35H,4-7,9-10,12,27H2,1-2H3,(H2,28,29,30,31,32)
InChIKeyUTOOTASPOOSERC-UHFFFAOYSA-N
XLogP2.97
TPSA129.29 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.53
LogP ≤ 52.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 1-[2-[[4-[(4-aminocyclohexyl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-hydroxy-2-methylpropan-1-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[4-[(4-aminocyclohexyl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-hydroxy-2-methylpropan-1-one?
The IUPAC name of 1-[2-[[4-[(4-aminocyclohexyl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-hydroxy-2-methylpropan-1-one (CID 169102788) is 1-[2-[[4-[(4-aminocyclohexyl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-hydroxy-2-methylpropan-1-one.
What is the SMILES notation for 1-[2-[[4-[(4-aminocyclohexyl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-hydroxy-2-methylpropan-1-one?
The canonical SMILES for 1-[2-[[4-[(4-aminocyclohexyl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-hydroxy-2-methylpropan-1-one is CC(C)(O)C(=O)N1CCc2nc(Nc3ncc(C(F)(F)F)c(NC4CCC(N)CC4)n3)ccc2C1.
What is the InChIKey of 1-[2-[[4-[(4-aminocyclohexyl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-hydroxy-2-methylpropan-1-one?
The InChIKey is UTOOTASPOOSERC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30F3N7O2/c1-22(2,35)20(34)33-10-9-17-13(12-33)3-8-18(30-17)31-21-28-11-16(23(24,25)26)19(32-21)29-15-6-4-14(27)5-7-15/h3,8,11,14-15,35H,4-7,9-10,12,27H2,1-2H3,(H2,28,29,30,31,32).
What are the key properties of 1-[2-[[4-[(4-aminocyclohexyl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-hydroxy-2-methylpropan-1-one?
1-[2-[[4-[(4-aminocyclohexyl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-hydroxy-2-methylpropan-1-one has a molecular weight of 493.53 g/mol, XLogP of 2.97, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[4-[(4-aminocyclohexyl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-hydroxy-2-methylpropan-1-one is sourced from PubChem (CID 169102788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).