3-[[4-hydroxy-1-[(3R,4R)-3-phenyl-1-(pyrazine-2-carbonyl)piperidine-4-carbonyl]piperidin-4-yl]methyl]-7-phenylpyrrolo[2,3-d]pyrimidin-4-one

C35H35N7O4 — CID 138608448

IUPAC3-[[4-hydroxy-1-[(3R,4R)-3-phenyl-1-(pyrazine-2-carbonyl)piperidine-4-carbonyl]piperidin-4-yl]methyl]-7-phenylpyrrolo[2,3-d]pyrimidin-4-one
SMILESO=C(c1cnccn1)N1CC[C@@H](C(=O)N2CCC(O)(Cn3cnc4c(ccn4-c4ccccc4)c3=O)CC2)[C@H](c2ccccc2)C1
InChIInChI=1S/C35H35N7O4/c43-32(27-11-17-40(34(45)30-21-36-15-16-37-30)22-29(27)25-7-3-1-4-8-25)39-19-13-35(46,14-20-39)23-41-24-38-31-28(33(41)44)12-18-42(31)26-9-5-2-6-10-26/h1-10,12,15-16,18,21,24,27,29,46H,11,13-14,17,19-20,22-23H2/t27-,29+/m1/s1
InChIKeyRAMJTSPKXIHGLX-PXJZQJOASA-N
MW617.71 g/mol
LogP3.28
Rot. Bonds6

About 3-[[4-hydroxy-1-[(3R,4R)-3-phenyl-1-(pyrazine-2-carbonyl)piperidine-4-carbonyl]piperidin-4-yl]methyl]-7-phenylpyrrolo[2,3-d]pyrimidin-4-one

3-[[4-hydroxy-1-[(3R,4R)-3-phenyl-1-(pyrazine-2-carbonyl)piperidine-4-carbonyl]piperidin-4-yl]methyl]-7-phenylpyrrolo[2,3-d]pyrimidin-4-one (PubChem CID 138608448) has the molecular formula C35H35N7O4 and a molecular weight of 617.71 g/mol. Its IUPAC name is 3-[[4-hydroxy-1-[(3R,4R)-3-phenyl-1-(pyrazine-2-carbonyl)piperidine-4-carbonyl]piperidin-4-yl]methyl]-7-phenylpyrrolo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[[4-hydroxy-1-[(3R,4R)-3-phenyl-1-(pyrazine-2-carbonyl)piperidine-4-carbonyl]piperidin-4-yl]methyl]-7-phenylpyrrolo[2,3-d]pyrimidin-4-one
PubChem CID138608448
Molecular FormulaC35H35N7O4
Molecular Weight617.71 g/mol
Exact Mass617.28
IUPAC Name3-[[4-hydroxy-1-[(3R,4R)-3-phenyl-1-(pyrazine-2-carbonyl)piperidine-4-carbonyl]piperidin-4-yl]methyl]-7-phenylpyrrolo[2,3-d]pyrimidin-4-one
SMILESO=C(c1cnccn1)N1CC[C@@H](C(=O)N2CCC(O)(Cn3cnc4c(ccn4-c4ccccc4)c3=O)CC2)[C@H](c2ccccc2)C1
InChIInChI=1S/C35H35N7O4/c43-32(27-11-17-40(34(45)30-21-36-15-16-37-30)22-29(27)25-7-3-1-4-8-25)39-19-13-35(46,14-20-39)23-41-24-38-31-28(33(41)44)12-18-42(31)26-9-5-2-6-10-26/h1-10,12,15-16,18,21,24,27,29,46H,11,13-14,17,19-20,22-23H2/t27-,29+/m1/s1
InChIKeyRAMJTSPKXIHGLX-PXJZQJOASA-N
XLogP3.28
TPSA126.45 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500617.71
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 3-[[4-hydroxy-1-[(3R,4R)-3-phenyl-1-(pyrazine-2-carbonyl)piperidine-4-carbonyl]piperidin-4-yl]methyl]-7-phenylpyrrolo[2,3-d]pyrimidin-4-one with MolForge

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Related Compounds

3-[[1-[(3R,4R)-1-(2,2-dimethylpropanoyl)-3-phenylpiperidine-4-carbonyl]-4-hydroxypiperidin-4-yl]methyl]-7-phenylpyrrolo[2,3-d]pyrimidin-4-one
CID 138609581
tert-butyl 4-[4-hydroxy-4-[[7-(4-methoxyphenyl)-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]methyl]piperidine-1-carbonyl]-3-phenylpiperidine-1-carboxylate
CID 155889047
3-[[1-[(3R,4R)-1-benzoyl-3-phenylpiperidine-4-carbonyl]-4-hydroxypiperidin-4-yl]methyl]-7-methylpyrrolo[2,3-d]pyrimidin-4-one
CID 138539992
3-[[1-[(3R,4R)-1-(2-acetylbenzoyl)-3-phenylpiperidine-4-carbonyl]-4-hydroxypiperidin-4-yl]methyl]-7-methylpyrrolo[2,3-d]pyrimidin-4-one
CID 138539676
3-[[1-[1-(2-acetylbenzoyl)-3-phenylpiperidine-4-carbonyl]-4-hydroxypiperidin-4-yl]methyl]-7-methylpyrrolo[2,3-d]pyrimidin-4-one
CID 138539677
3-[[4-hydroxy-1-[(1R,2R,3R)-3-hydroxy-2-phenylcyclohexanecarbonyl]piperidin-4-yl]methyl]-7-phenylpyrrolo[2,3-d]pyrimidin-4-one
CID 155434200
3-[[4-hydroxy-1-(2-phenylcyclohexanecarbonyl)piperidin-4-yl]methyl]-7-thiophen-3-ylpyrrolo[2,3-d]pyrimidin-4-one
CID 155434051
3-[[4-hydroxy-1-[(3R,4R)-1-[(2-methylpyrazol-3-yl)methyl]-3-phenylpiperidine-4-carbonyl]piperidin-4-yl]methyl]-7-(4-methoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-one
CID 138540524
3-[[4-hydroxy-1-[(3R,4R)-1-[4-methyl-2-(6-methyl-3-pyridinyl)-1,3-thiazole-5-carbonyl]-3-phenylpiperidine-4-carbonyl]piperidin-4-yl]methyl]-7-(4-methoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-one
CID 138540650
3-[[4-hydroxy-1-[(3R,4R)-1-(1,3-oxazol-4-ylmethyl)-3-phenylpiperidine-4-carbonyl]piperidin-4-yl]methyl]-7-(4-methoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-one
CID 138540522
methyl 2-[(3R,4R)-4-[4-hydroxy-4-[(7-methyl-4-oxopyrrolo[2,3-d]pyrimidin-3-yl)methyl]piperidine-1-carbonyl]-3-phenylpiperidine-1-carbonyl]benzoate
CID 138539752
3-[[4-hydroxy-1-[(3R,4R)-1-(3-methylbenzoyl)-3-phenylpiperidine-4-carbonyl]piperidin-4-yl]methyl]-7-methylpyrrolo[2,3-d]pyrimidin-4-one
CID 138540578

Frequently Asked Questions

What is the IUPAC name of 3-[[4-hydroxy-1-[(3R,4R)-3-phenyl-1-(pyrazine-2-carbonyl)piperidine-4-carbonyl]piperidin-4-yl]methyl]-7-phenylpyrrolo[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-[[4-hydroxy-1-[(3R,4R)-3-phenyl-1-(pyrazine-2-carbonyl)piperidine-4-carbonyl]piperidin-4-yl]methyl]-7-phenylpyrrolo[2,3-d]pyrimidin-4-one (CID 138608448) is 3-[[4-hydroxy-1-[(3R,4R)-3-phenyl-1-(pyrazine-2-carbonyl)piperidine-4-carbonyl]piperidin-4-yl]methyl]-7-phenylpyrrolo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-[[4-hydroxy-1-[(3R,4R)-3-phenyl-1-(pyrazine-2-carbonyl)piperidine-4-carbonyl]piperidin-4-yl]methyl]-7-phenylpyrrolo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-[[4-hydroxy-1-[(3R,4R)-3-phenyl-1-(pyrazine-2-carbonyl)piperidine-4-carbonyl]piperidin-4-yl]methyl]-7-phenylpyrrolo[2,3-d]pyrimidin-4-one is O=C(c1cnccn1)N1CC[C@@H](C(=O)N2CCC(O)(Cn3cnc4c(ccn4-c4ccccc4)c3=O)CC2)[C@H](c2ccccc2)C1.
What is the InChIKey of 3-[[4-hydroxy-1-[(3R,4R)-3-phenyl-1-(pyrazine-2-carbonyl)piperidine-4-carbonyl]piperidin-4-yl]methyl]-7-phenylpyrrolo[2,3-d]pyrimidin-4-one?
The InChIKey is RAMJTSPKXIHGLX-PXJZQJOASA-N. The full InChI is InChI=1S/C35H35N7O4/c43-32(27-11-17-40(34(45)30-21-36-15-16-37-30)22-29(27)25-7-3-1-4-8-25)39-19-13-35(46,14-20-39)23-41-24-38-31-28(33(41)44)12-18-42(31)26-9-5-2-6-10-26/h1-10,12,15-16,18,21,24,27,29,46H,11,13-14,17,19-20,22-23H2/t27-,29+/m1/s1.
What are the key properties of 3-[[4-hydroxy-1-[(3R,4R)-3-phenyl-1-(pyrazine-2-carbonyl)piperidine-4-carbonyl]piperidin-4-yl]methyl]-7-phenylpyrrolo[2,3-d]pyrimidin-4-one?
3-[[4-hydroxy-1-[(3R,4R)-3-phenyl-1-(pyrazine-2-carbonyl)piperidine-4-carbonyl]piperidin-4-yl]methyl]-7-phenylpyrrolo[2,3-d]pyrimidin-4-one has a molecular weight of 617.71 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-hydroxy-1-[(3R,4R)-3-phenyl-1-(pyrazine-2-carbonyl)piperidine-4-carbonyl]piperidin-4-yl]methyl]-7-phenylpyrrolo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 138608448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).