(5S)-5-ethyl-1-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]pyrazolidin-3-one

C19H26N8O — CID 138595624

IUPAC(5S)-5-ethyl-1-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]pyrazolidin-3-one
SMILESCC[C@H]1CC(=O)NN1c1ccnc(Nc2ccc(N3CCN(C)CC3)cn2)n1
InChIInChI=1S/C19H26N8O/c1-3-14-12-18(28)24-27(14)17-6-7-20-19(23-17)22-16-5-4-15(13-21-16)26-10-8-25(2)9-11-26/h4-7,13-14H,3,8-12H2,1-2H3,(H,24,28)(H,20,21,22,23)/t14-/m0/s1
InChIKeyFJRBNXUMBXWANG-AWEZNQCLSA-N
MW382.47 g/mol
LogP1.39
Rot. Bonds5

About (5S)-5-ethyl-1-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]pyrazolidin-3-one

(5S)-5-ethyl-1-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]pyrazolidin-3-one (PubChem CID 138595624) has the molecular formula C19H26N8O and a molecular weight of 382.47 g/mol. Its IUPAC name is (5S)-5-ethyl-1-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]pyrazolidin-3-one.

Molecular Properties

Compound Name(5S)-5-ethyl-1-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]pyrazolidin-3-one
PubChem CID138595624
Molecular FormulaC19H26N8O
Molecular Weight382.47 g/mol
Exact Mass382.22
IUPAC Name(5S)-5-ethyl-1-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]pyrazolidin-3-one
SMILESCC[C@H]1CC(=O)NN1c1ccnc(Nc2ccc(N3CCN(C)CC3)cn2)n1
InChIInChI=1S/C19H26N8O/c1-3-14-12-18(28)24-27(14)17-6-7-20-19(23-17)22-16-5-4-15(13-21-16)26-10-8-25(2)9-11-26/h4-7,13-14H,3,8-12H2,1-2H3,(H,24,28)(H,20,21,22,23)/t14-/m0/s1
InChIKeyFJRBNXUMBXWANG-AWEZNQCLSA-N
XLogP1.39
TPSA89.52 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (5S)-5-ethyl-1-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]pyrazolidin-3-one with MolForge

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Launch Full Analysis

Related Compounds

1-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-5-propan-2-ylpyrazolidin-3-one
CID 138595637
4-(5-ethyl-3-methylidene-2H-pyrrol-1-yl)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-2-amine
CID 158478329
4-[(2S)-2-methyl-5-methylidenepiperazin-1-yl]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-2-amine
CID 159095598
(5S)-5-methyl-4-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-2-oxopiperazine-1-carboxylic acid
CID 138595666
4-(2-ethylpiperidin-1-yl)-2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidine-5-carbaldehyde
CID 166686063
4-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-1,3,5,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2,4,6-trien-11-one
CID 118462048
N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]thieno[3,2-d]pyrimidin-2-amine
CID 151602434
4-(4-ethylpiperazin-1-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-2-amine
CID 112888335
N,N-dimethyl-2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-6,7-dihydro-5H-pyrrolo[3,2-d]pyrimidine-6-carboxamide
CID 175096890
N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]propane-1-sulfonamide
CID 113025882
4-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-2-amine
CID 135286568
4-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]spiro[1,3,5,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2,4,6-triene-14,1'-cyclohexane]-8-one
CID 123476117

Frequently Asked Questions

What is the IUPAC name of (5S)-5-ethyl-1-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]pyrazolidin-3-one?
The IUPAC name of (5S)-5-ethyl-1-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]pyrazolidin-3-one (CID 138595624) is (5S)-5-ethyl-1-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]pyrazolidin-3-one.
What is the SMILES notation for (5S)-5-ethyl-1-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]pyrazolidin-3-one?
The canonical SMILES for (5S)-5-ethyl-1-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]pyrazolidin-3-one is CC[C@H]1CC(=O)NN1c1ccnc(Nc2ccc(N3CCN(C)CC3)cn2)n1.
What is the InChIKey of (5S)-5-ethyl-1-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]pyrazolidin-3-one?
The InChIKey is FJRBNXUMBXWANG-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H26N8O/c1-3-14-12-18(28)24-27(14)17-6-7-20-19(23-17)22-16-5-4-15(13-21-16)26-10-8-25(2)9-11-26/h4-7,13-14H,3,8-12H2,1-2H3,(H,24,28)(H,20,21,22,23)/t14-/m0/s1.
What are the key properties of (5S)-5-ethyl-1-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]pyrazolidin-3-one?
(5S)-5-ethyl-1-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]pyrazolidin-3-one has a molecular weight of 382.47 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-ethyl-1-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]pyrazolidin-3-one is sourced from PubChem (CID 138595624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).