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

C27H39N7O2 — CID 67112053

IUPAC(5R)-5-methyl-4-[4-[4-(oxan-4-yl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
SMILESC[C@@H]1CC(=O)Nc2ncnc(N3CCC(c4nc(C5CCOCC5)cn4CCN4CCCC4)CC3)c21
InChIInChI=1S/C27H39N7O2/c1-19-16-23(35)31-25-24(19)27(29-18-28-25)33-10-4-21(5-11-33)26-30-22(20-6-14-36-15-7-20)17-34(26)13-12-32-8-2-3-9-32/h17-21H,2-16H2,1H3,(H,28,29,31,35)/t19-/m1/s1
InChIKeyUFJUPXKMZSBZPZ-LJQANCHMSA-N
MW493.66 g/mol
LogP3.49
Rot. Bonds6

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

(5R)-5-methyl-4-[4-[4-(oxan-4-yl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one (PubChem CID 67112053) has the molecular formula C27H39N7O2 and a molecular weight of 493.66 g/mol. Its IUPAC name is (5R)-5-methyl-4-[4-[4-(oxan-4-yl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name(5R)-5-methyl-4-[4-[4-(oxan-4-yl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
PubChem CID67112053
Molecular FormulaC27H39N7O2
Molecular Weight493.66 g/mol
Exact Mass493.32
IUPAC Name(5R)-5-methyl-4-[4-[4-(oxan-4-yl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
SMILESC[C@@H]1CC(=O)Nc2ncnc(N3CCC(c4nc(C5CCOCC5)cn4CCN4CCCC4)CC3)c21
InChIInChI=1S/C27H39N7O2/c1-19-16-23(35)31-25-24(19)27(29-18-28-25)33-10-4-21(5-11-33)26-30-22(20-6-14-36-15-7-20)17-34(26)13-12-32-8-2-3-9-32/h17-21H,2-16H2,1H3,(H,28,29,31,35)/t19-/m1/s1
InChIKeyUFJUPXKMZSBZPZ-LJQANCHMSA-N
XLogP3.49
TPSA88.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.66
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (5R)-5-methyl-4-[4-[4-(oxan-4-yl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-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)-5-methyl-4-[4-[4-(oxan-4-yl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of (5R)-5-methyl-4-[4-[4-(oxan-4-yl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one (CID 67112053) is (5R)-5-methyl-4-[4-[4-(oxan-4-yl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for (5R)-5-methyl-4-[4-[4-(oxan-4-yl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for (5R)-5-methyl-4-[4-[4-(oxan-4-yl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one is C[C@@H]1CC(=O)Nc2ncnc(N3CCC(c4nc(C5CCOCC5)cn4CCN4CCCC4)CC3)c21.
What is the InChIKey of (5R)-5-methyl-4-[4-[4-(oxan-4-yl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is UFJUPXKMZSBZPZ-LJQANCHMSA-N. The full InChI is InChI=1S/C27H39N7O2/c1-19-16-23(35)31-25-24(19)27(29-18-28-25)33-10-4-21(5-11-33)26-30-22(20-6-14-36-15-7-20)17-34(26)13-12-32-8-2-3-9-32/h17-21H,2-16H2,1H3,(H,28,29,31,35)/t19-/m1/s1.
What are the key properties of (5R)-5-methyl-4-[4-[4-(oxan-4-yl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
(5R)-5-methyl-4-[4-[4-(oxan-4-yl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 493.66 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-methyl-4-[4-[4-(oxan-4-yl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 67112053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).