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

C23H27F6N7O — CID 52913955

IUPAC(5R)-4-[4-[1-[2-(azetidin-1-yl)ethyl]-4-(2,2,2-trifluoroethyl)imidazol-2-yl]piperidin-1-yl]-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
SMILESO=C1C[C@@H](C(F)(F)F)c2c(ncnc2N2CCC(c3nc(CC(F)(F)F)cn3CCN3CCC3)CC2)N1
InChIInChI=1S/C23H27F6N7O/c24-22(25,26)11-15-12-36(9-8-34-4-1-5-34)20(32-15)14-2-6-35(7-3-14)21-18-16(23(27,28)29)10-17(37)33-19(18)30-13-31-21/h12-14,16H,1-11H2,(H,30,31,33,37)/t16-/m1/s1
InChIKeyUNLVPMYYWDKUOP-MRXNPFEDSA-N
MW531.51 g/mol
LogP3.86
Rot. Bonds6

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

(5R)-4-[4-[1-[2-(azetidin-1-yl)ethyl]-4-(2,2,2-trifluoroethyl)imidazol-2-yl]piperidin-1-yl]-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one (PubChem CID 52913955) has the molecular formula C23H27F6N7O and a molecular weight of 531.51 g/mol. Its IUPAC name is (5R)-4-[4-[1-[2-(azetidin-1-yl)ethyl]-4-(2,2,2-trifluoroethyl)imidazol-2-yl]piperidin-1-yl]-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name(5R)-4-[4-[1-[2-(azetidin-1-yl)ethyl]-4-(2,2,2-trifluoroethyl)imidazol-2-yl]piperidin-1-yl]-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
PubChem CID52913955
Molecular FormulaC23H27F6N7O
Molecular Weight531.51 g/mol
Exact Mass531.22
IUPAC Name(5R)-4-[4-[1-[2-(azetidin-1-yl)ethyl]-4-(2,2,2-trifluoroethyl)imidazol-2-yl]piperidin-1-yl]-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
SMILESO=C1C[C@@H](C(F)(F)F)c2c(ncnc2N2CCC(c3nc(CC(F)(F)F)cn3CCN3CCC3)CC2)N1
InChIInChI=1S/C23H27F6N7O/c24-22(25,26)11-15-12-36(9-8-34-4-1-5-34)20(32-15)14-2-6-35(7-3-14)21-18-16(23(27,28)29)10-17(37)33-19(18)30-13-31-21/h12-14,16H,1-11H2,(H,30,31,33,37)/t16-/m1/s1
InChIKeyUNLVPMYYWDKUOP-MRXNPFEDSA-N
XLogP3.86
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.51
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (5R)-4-[4-[1-[2-(azetidin-1-yl)ethyl]-4-(2,2,2-trifluoroethyl)imidazol-2-yl]piperidin-1-yl]-5-(trifluoromethyl)-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-(azetidin-1-yl)ethyl]-4-(2,2,2-trifluoroethyl)imidazol-2-yl]piperidin-1-yl]-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of (5R)-4-[4-[1-[2-(azetidin-1-yl)ethyl]-4-(2,2,2-trifluoroethyl)imidazol-2-yl]piperidin-1-yl]-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one (CID 52913955) is (5R)-4-[4-[1-[2-(azetidin-1-yl)ethyl]-4-(2,2,2-trifluoroethyl)imidazol-2-yl]piperidin-1-yl]-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for (5R)-4-[4-[1-[2-(azetidin-1-yl)ethyl]-4-(2,2,2-trifluoroethyl)imidazol-2-yl]piperidin-1-yl]-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for (5R)-4-[4-[1-[2-(azetidin-1-yl)ethyl]-4-(2,2,2-trifluoroethyl)imidazol-2-yl]piperidin-1-yl]-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one is O=C1C[C@@H](C(F)(F)F)c2c(ncnc2N2CCC(c3nc(CC(F)(F)F)cn3CCN3CCC3)CC2)N1.
What is the InChIKey of (5R)-4-[4-[1-[2-(azetidin-1-yl)ethyl]-4-(2,2,2-trifluoroethyl)imidazol-2-yl]piperidin-1-yl]-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is UNLVPMYYWDKUOP-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H27F6N7O/c24-22(25,26)11-15-12-36(9-8-34-4-1-5-34)20(32-15)14-2-6-35(7-3-14)21-18-16(23(27,28)29)10-17(37)33-19(18)30-13-31-21/h12-14,16H,1-11H2,(H,30,31,33,37)/t16-/m1/s1.
What are the key properties of (5R)-4-[4-[1-[2-(azetidin-1-yl)ethyl]-4-(2,2,2-trifluoroethyl)imidazol-2-yl]piperidin-1-yl]-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
(5R)-4-[4-[1-[2-(azetidin-1-yl)ethyl]-4-(2,2,2-trifluoroethyl)imidazol-2-yl]piperidin-1-yl]-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 531.51 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-4-[4-[1-[2-(azetidin-1-yl)ethyl]-4-(2,2,2-trifluoroethyl)imidazol-2-yl]piperidin-1-yl]-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 52913955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).