(5R)-4-[(2R)-4-[(2S)-2-(4-chlorophenyl)-3-(propan-2-ylamino)propanoyl]-2-methylpiperazin-1-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one

C25H33ClN6O2 — CID 155038415

IUPAC(5R)-4-[(2R)-4-[(2S)-2-(4-chlorophenyl)-3-(propan-2-ylamino)propanoyl]-2-methylpiperazin-1-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
SMILESCC(C)NC[C@@H](C(=O)N1CCN(c2ncnc3c2[C@H](C)CC(=O)N3)[C@H](C)C1)c1ccc(Cl)cc1
InChIInChI=1S/C25H33ClN6O2/c1-15(2)27-12-20(18-5-7-19(26)8-6-18)25(34)31-9-10-32(17(4)13-31)24-22-16(3)11-21(33)30-23(22)28-14-29-24/h5-8,14-17,20,27H,9-13H2,1-4H3,(H,28,29,30,33)/t16-,17-,20-/m1/s1
InChIKeyFOPGPDSJULLECN-MBOZVWFJSA-N
MW485.03 g/mol
LogP3.39
Rot. Bonds6

About (5R)-4-[(2R)-4-[(2S)-2-(4-chlorophenyl)-3-(propan-2-ylamino)propanoyl]-2-methylpiperazin-1-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one

(5R)-4-[(2R)-4-[(2S)-2-(4-chlorophenyl)-3-(propan-2-ylamino)propanoyl]-2-methylpiperazin-1-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one (PubChem CID 155038415) has the molecular formula C25H33ClN6O2 and a molecular weight of 485.03 g/mol. Its IUPAC name is (5R)-4-[(2R)-4-[(2S)-2-(4-chlorophenyl)-3-(propan-2-ylamino)propanoyl]-2-methylpiperazin-1-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name(5R)-4-[(2R)-4-[(2S)-2-(4-chlorophenyl)-3-(propan-2-ylamino)propanoyl]-2-methylpiperazin-1-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
PubChem CID155038415
Molecular FormulaC25H33ClN6O2
Molecular Weight485.03 g/mol
Exact Mass484.24
IUPAC Name(5R)-4-[(2R)-4-[(2S)-2-(4-chlorophenyl)-3-(propan-2-ylamino)propanoyl]-2-methylpiperazin-1-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
SMILESCC(C)NC[C@@H](C(=O)N1CCN(c2ncnc3c2[C@H](C)CC(=O)N3)[C@H](C)C1)c1ccc(Cl)cc1
InChIInChI=1S/C25H33ClN6O2/c1-15(2)27-12-20(18-5-7-19(26)8-6-18)25(34)31-9-10-32(17(4)13-31)24-22-16(3)11-21(33)30-23(22)28-14-29-24/h5-8,14-17,20,27H,9-13H2,1-4H3,(H,28,29,30,33)/t16-,17-,20-/m1/s1
InChIKeyFOPGPDSJULLECN-MBOZVWFJSA-N
XLogP3.39
TPSA90.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.03
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (5R)-4-[(2R)-4-[(2S)-2-(4-chlorophenyl)-3-(propan-2-ylamino)propanoyl]-2-methylpiperazin-1-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one with MolForge

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Related Compounds

(5R)-4-[(1S,6R)-5-[(2S)-2-(4-chlorophenyl)-3-(propan-2-ylamino)propanoyl]-2,5-diazabicyclo[4.1.0]heptan-2-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
CID 154663238
6-(2,6-dichlorophenyl)-8-methyl-2-{[3-(4-methylpiperazin-1-yl)propyl]amino}-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5327878
2-aminopyrido[2,3-d]pyrimidin-7(8H)-one 32
CID 5327879
2-aminopyrido[2,3-d]pyrimidin-7(8H)-one 33
CID 5327880
(2S)-2-(4-chlorophenyl)-1-[4-[(5S)-5-ethenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one
CID 58458278
4-[4-[(2S)-2-(4-chlorophenyl)-3-(propan-2-ylamino)propanoyl]piperazin-1-yl]-5-methyl-6,8-dihydropteridin-7-one;hydrochloride
CID 154663189
(5R)-4-[(1S,6R)-5-[(2S)-2-(4-chlorophenyl)-3-(cyclopropylamino)propanoyl]-2,5-diazabicyclo[4.1.0]heptan-2-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
CID 154663193
Akt-IN-13
CID 154663213
(5R)-4-[3-[(2S)-2-(4-chlorophenyl)-3-(propan-2-ylamino)propanoyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
CID 155038014
(4S)-5-[4-[(2S)-2-(4-chlorophenyl)-3-(propan-2-ylamino)propanoyl]piperazin-1-yl]-4-methyl-1,4-dihydropyrimido[4,5-d][1,3]oxazin-2-one
CID 155038021
(5R)-4-[8-[(2S)-2-(4-chlorophenyl)-3-(propan-2-ylamino)propanoyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
CID 155038026
4-[(1S,6R)-5-[(2S)-2-(4-chlorophenyl)-3-(propan-2-ylamino)propanoyl]-2,5-diazabicyclo[4.1.0]heptan-2-yl]-5-methyl-6,8-dihydropteridin-7-one
CID 164762103

Frequently Asked Questions

What is the IUPAC name of (5R)-4-[(2R)-4-[(2S)-2-(4-chlorophenyl)-3-(propan-2-ylamino)propanoyl]-2-methylpiperazin-1-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of (5R)-4-[(2R)-4-[(2S)-2-(4-chlorophenyl)-3-(propan-2-ylamino)propanoyl]-2-methylpiperazin-1-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one (CID 155038415) is (5R)-4-[(2R)-4-[(2S)-2-(4-chlorophenyl)-3-(propan-2-ylamino)propanoyl]-2-methylpiperazin-1-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for (5R)-4-[(2R)-4-[(2S)-2-(4-chlorophenyl)-3-(propan-2-ylamino)propanoyl]-2-methylpiperazin-1-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for (5R)-4-[(2R)-4-[(2S)-2-(4-chlorophenyl)-3-(propan-2-ylamino)propanoyl]-2-methylpiperazin-1-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one is CC(C)NC[C@@H](C(=O)N1CCN(c2ncnc3c2[C@H](C)CC(=O)N3)[C@H](C)C1)c1ccc(Cl)cc1.
What is the InChIKey of (5R)-4-[(2R)-4-[(2S)-2-(4-chlorophenyl)-3-(propan-2-ylamino)propanoyl]-2-methylpiperazin-1-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is FOPGPDSJULLECN-MBOZVWFJSA-N. The full InChI is InChI=1S/C25H33ClN6O2/c1-15(2)27-12-20(18-5-7-19(26)8-6-18)25(34)31-9-10-32(17(4)13-31)24-22-16(3)11-21(33)30-23(22)28-14-29-24/h5-8,14-17,20,27H,9-13H2,1-4H3,(H,28,29,30,33)/t16-,17-,20-/m1/s1.
What are the key properties of (5R)-4-[(2R)-4-[(2S)-2-(4-chlorophenyl)-3-(propan-2-ylamino)propanoyl]-2-methylpiperazin-1-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
(5R)-4-[(2R)-4-[(2S)-2-(4-chlorophenyl)-3-(propan-2-ylamino)propanoyl]-2-methylpiperazin-1-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 485.03 g/mol, XLogP of 3.39, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-4-[(2R)-4-[(2S)-2-(4-chlorophenyl)-3-(propan-2-ylamino)propanoyl]-2-methylpiperazin-1-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 155038415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).