(5R)-4-[4-[1-[2-(tert-butylamino)ethyl]-4-(2,2,2-trifluoroethyl)imidazol-2-yl]piperidin-1-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one

C24H34F3N7O — CID 67954728

IUPAC(5R)-4-[4-[1-[2-(tert-butylamino)ethyl]-4-(2,2,2-trifluoroethyl)imidazol-2-yl]piperidin-1-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
SMILESC[C@@H]1CC(=O)Nc2ncnc(N3CCC(c4nc(CC(F)(F)F)cn4CCNC(C)(C)C)CC3)c21
InChIInChI=1S/C24H34F3N7O/c1-15-11-18(35)32-20-19(15)22(29-14-28-20)33-8-5-16(6-9-33)21-31-17(12-24(25,26)27)13-34(21)10-7-30-23(2,3)4/h13-16,30H,5-12H2,1-4H3,(H,28,29,32,35)/t15-/m1/s1
InChIKeyANUPOBMLVSDLFW-OAHLLOKOSA-N
MW493.58 g/mol
LogP4.00
Rot. Bonds6

About (5R)-4-[4-[1-[2-(tert-butylamino)ethyl]-4-(2,2,2-trifluoroethyl)imidazol-2-yl]piperidin-1-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one

(5R)-4-[4-[1-[2-(tert-butylamino)ethyl]-4-(2,2,2-trifluoroethyl)imidazol-2-yl]piperidin-1-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one (PubChem CID 67954728) has the molecular formula C24H34F3N7O and a molecular weight of 493.58 g/mol. Its IUPAC name is (5R)-4-[4-[1-[2-(tert-butylamino)ethyl]-4-(2,2,2-trifluoroethyl)imidazol-2-yl]piperidin-1-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name(5R)-4-[4-[1-[2-(tert-butylamino)ethyl]-4-(2,2,2-trifluoroethyl)imidazol-2-yl]piperidin-1-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
PubChem CID67954728
Molecular FormulaC24H34F3N7O
Molecular Weight493.58 g/mol
Exact Mass493.28
IUPAC Name(5R)-4-[4-[1-[2-(tert-butylamino)ethyl]-4-(2,2,2-trifluoroethyl)imidazol-2-yl]piperidin-1-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
SMILESC[C@@H]1CC(=O)Nc2ncnc(N3CCC(c4nc(CC(F)(F)F)cn4CCNC(C)(C)C)CC3)c21
InChIInChI=1S/C24H34F3N7O/c1-15-11-18(35)32-20-19(15)22(29-14-28-20)33-8-5-16(6-9-33)21-31-17(12-24(25,26)27)13-34(21)10-7-30-23(2,3)4/h13-16,30H,5-12H2,1-4H3,(H,28,29,32,35)/t15-/m1/s1
InChIKeyANUPOBMLVSDLFW-OAHLLOKOSA-N
XLogP4.00
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.58
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (5R)-4-[4-[1-[2-(tert-butylamino)ethyl]-4-(2,2,2-trifluoroethyl)imidazol-2-yl]piperidin-1-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5R)-4-[4-[1-[2-(tert-butylamino)ethyl]-4-(2,2,2-trifluoroethyl)imidazol-2-yl]piperidin-1-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of (5R)-4-[4-[1-[2-(tert-butylamino)ethyl]-4-(2,2,2-trifluoroethyl)imidazol-2-yl]piperidin-1-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one (CID 67954728) is (5R)-4-[4-[1-[2-(tert-butylamino)ethyl]-4-(2,2,2-trifluoroethyl)imidazol-2-yl]piperidin-1-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for (5R)-4-[4-[1-[2-(tert-butylamino)ethyl]-4-(2,2,2-trifluoroethyl)imidazol-2-yl]piperidin-1-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for (5R)-4-[4-[1-[2-(tert-butylamino)ethyl]-4-(2,2,2-trifluoroethyl)imidazol-2-yl]piperidin-1-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one is C[C@@H]1CC(=O)Nc2ncnc(N3CCC(c4nc(CC(F)(F)F)cn4CCNC(C)(C)C)CC3)c21.
What is the InChIKey of (5R)-4-[4-[1-[2-(tert-butylamino)ethyl]-4-(2,2,2-trifluoroethyl)imidazol-2-yl]piperidin-1-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is ANUPOBMLVSDLFW-OAHLLOKOSA-N. The full InChI is InChI=1S/C24H34F3N7O/c1-15-11-18(35)32-20-19(15)22(29-14-28-20)33-8-5-16(6-9-33)21-31-17(12-24(25,26)27)13-34(21)10-7-30-23(2,3)4/h13-16,30H,5-12H2,1-4H3,(H,28,29,32,35)/t15-/m1/s1.
What are the key properties of (5R)-4-[4-[1-[2-(tert-butylamino)ethyl]-4-(2,2,2-trifluoroethyl)imidazol-2-yl]piperidin-1-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
(5R)-4-[4-[1-[2-(tert-butylamino)ethyl]-4-(2,2,2-trifluoroethyl)imidazol-2-yl]piperidin-1-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 493.58 g/mol, XLogP of 4.00, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-4-[4-[1-[2-(tert-butylamino)ethyl]-4-(2,2,2-trifluoroethyl)imidazol-2-yl]piperidin-1-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 67954728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).