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

C23H30F3N7O — CID 67968745

IUPAC(5R)-4-[4-[4-methyl-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
SMILESCc1cn(CCN2CCCC2)c(C2CCN(c3ncnc4c3[C@H](C(F)(F)F)CC(=O)N4)CC2)n1
InChIInChI=1S/C23H30F3N7O/c1-15-13-33(11-10-31-6-2-3-7-31)21(29-15)16-4-8-32(9-5-16)22-19-17(23(24,25)26)12-18(34)30-20(19)27-14-28-22/h13-14,16-17H,2-12H2,1H3,(H,27,28,30,34)/t17-/m1/s1
InChIKeyFIAISMTUHJBQIG-QGZVFWFLSA-N
MW477.54 g/mol
LogP3.45
Rot. Bonds5

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

(5R)-4-[4-[4-methyl-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one (PubChem CID 67968745) has the molecular formula C23H30F3N7O and a molecular weight of 477.54 g/mol. Its IUPAC name is (5R)-4-[4-[4-methyl-1-(2-pyrrolidin-1-ylethyl)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-[4-methyl-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
PubChem CID67968745
Molecular FormulaC23H30F3N7O
Molecular Weight477.54 g/mol
Exact Mass477.25
IUPAC Name(5R)-4-[4-[4-methyl-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
SMILESCc1cn(CCN2CCCC2)c(C2CCN(c3ncnc4c3[C@H](C(F)(F)F)CC(=O)N4)CC2)n1
InChIInChI=1S/C23H30F3N7O/c1-15-13-33(11-10-31-6-2-3-7-31)21(29-15)16-4-8-32(9-5-16)22-19-17(23(24,25)26)12-18(34)30-20(19)27-14-28-22/h13-14,16-17H,2-12H2,1H3,(H,27,28,30,34)/t17-/m1/s1
InChIKeyFIAISMTUHJBQIG-QGZVFWFLSA-N
XLogP3.45
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.54
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (5R)-4-[4-[4-methyl-1-(2-pyrrolidin-1-ylethyl)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-[4-methyl-1-(2-pyrrolidin-1-ylethyl)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-[4-methyl-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one (CID 67968745) is (5R)-4-[4-[4-methyl-1-(2-pyrrolidin-1-ylethyl)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-[4-methyl-1-(2-pyrrolidin-1-ylethyl)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-[4-methyl-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one is Cc1cn(CCN2CCCC2)c(C2CCN(c3ncnc4c3[C@H](C(F)(F)F)CC(=O)N4)CC2)n1.
What is the InChIKey of (5R)-4-[4-[4-methyl-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is FIAISMTUHJBQIG-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H30F3N7O/c1-15-13-33(11-10-31-6-2-3-7-31)21(29-15)16-4-8-32(9-5-16)22-19-17(23(24,25)26)12-18(34)30-20(19)27-14-28-22/h13-14,16-17H,2-12H2,1H3,(H,27,28,30,34)/t17-/m1/s1.
What are the key properties of (5R)-4-[4-[4-methyl-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
(5R)-4-[4-[4-methyl-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 477.54 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-4-[4-[4-methyl-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 67968745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).