[3-[(5-fluoro-2-propylpyrimidin-4-yl)amino]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-5-yl]-[(2S)-2,4,5,5-tetramethylpiperazin-1-yl]methanone

C23H35FN8O — CID 25155477

IUPAC[3-[(5-fluoro-2-propylpyrimidin-4-yl)amino]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-5-yl]-[(2S)-2,4,5,5-tetramethylpiperazin-1-yl]methanone
SMILESCCCc1ncc(F)c(Nc2n[nH]c3c2CN(C(=O)N2CC(C)(C)N(C)C[C@@H]2C)C3(C)C)n1
InChIInChI=1S/C23H35FN8O/c1-8-9-17-25-10-16(24)20(26-17)27-19-15-12-32(23(5,6)18(15)28-29-19)21(33)31-13-22(3,4)30(7)11-14(31)2/h10,14H,8-9,11-13H2,1-7H3,(H2,25,26,27,28,29)/t14-/m0/s1
InChIKeyOOKMPJVYBPSYMC-AWEZNQCLSA-N
MW458.59 g/mol
LogP3.62
Rot. Bonds4

About [3-[(5-fluoro-2-propylpyrimidin-4-yl)amino]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-5-yl]-[(2S)-2,4,5,5-tetramethylpiperazin-1-yl]methanone

[3-[(5-fluoro-2-propylpyrimidin-4-yl)amino]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-5-yl]-[(2S)-2,4,5,5-tetramethylpiperazin-1-yl]methanone (PubChem CID 25155477) has the molecular formula C23H35FN8O and a molecular weight of 458.59 g/mol. Its IUPAC name is [3-[(5-fluoro-2-propylpyrimidin-4-yl)amino]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-5-yl]-[(2S)-2,4,5,5-tetramethylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name[3-[(5-fluoro-2-propylpyrimidin-4-yl)amino]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-5-yl]-[(2S)-2,4,5,5-tetramethylpiperazin-1-yl]methanone
PubChem CID25155477
Molecular FormulaC23H35FN8O
Molecular Weight458.59 g/mol
Exact Mass458.29
IUPAC Name[3-[(5-fluoro-2-propylpyrimidin-4-yl)amino]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-5-yl]-[(2S)-2,4,5,5-tetramethylpiperazin-1-yl]methanone
SMILESCCCc1ncc(F)c(Nc2n[nH]c3c2CN(C(=O)N2CC(C)(C)N(C)C[C@@H]2C)C3(C)C)n1
InChIInChI=1S/C23H35FN8O/c1-8-9-17-25-10-16(24)20(26-17)27-19-15-12-32(23(5,6)18(15)28-29-19)21(33)31-13-22(3,4)30(7)11-14(31)2/h10,14H,8-9,11-13H2,1-7H3,(H2,25,26,27,28,29)/t14-/m0/s1
InChIKeyOOKMPJVYBPSYMC-AWEZNQCLSA-N
XLogP3.62
TPSA93.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.59
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [3-[(5-fluoro-2-propylpyrimidin-4-yl)amino]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-5-yl]-[(2S)-2,4,5,5-tetramethylpiperazin-1-yl]methanone with MolForge

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Related Compounds

US9518060, Example K8
CID 25159110
US9518060, Example K7
CID 25159111
US9518060, Example K6
CID 25159112
US9518060, Example K5
CID 25159113
US9518060, Example A1
CID 24875368
US9518060, Example K4
CID 25154945
US9518060, Example J13
CID 25155216
US9518060, Example J10
CID 25155219
US9518060, Example I2
CID 25155476
Pkc-IN-1
CID 25155745
US11220518, Ex. No. E5
CID 25155746
US9518060, Example E2
CID 25155747

Frequently Asked Questions

What is the IUPAC name of [3-[(5-fluoro-2-propylpyrimidin-4-yl)amino]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-5-yl]-[(2S)-2,4,5,5-tetramethylpiperazin-1-yl]methanone?
The IUPAC name of [3-[(5-fluoro-2-propylpyrimidin-4-yl)amino]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-5-yl]-[(2S)-2,4,5,5-tetramethylpiperazin-1-yl]methanone (CID 25155477) is [3-[(5-fluoro-2-propylpyrimidin-4-yl)amino]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-5-yl]-[(2S)-2,4,5,5-tetramethylpiperazin-1-yl]methanone.
What is the SMILES notation for [3-[(5-fluoro-2-propylpyrimidin-4-yl)amino]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-5-yl]-[(2S)-2,4,5,5-tetramethylpiperazin-1-yl]methanone?
The canonical SMILES for [3-[(5-fluoro-2-propylpyrimidin-4-yl)amino]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-5-yl]-[(2S)-2,4,5,5-tetramethylpiperazin-1-yl]methanone is CCCc1ncc(F)c(Nc2n[nH]c3c2CN(C(=O)N2CC(C)(C)N(C)C[C@@H]2C)C3(C)C)n1.
What is the InChIKey of [3-[(5-fluoro-2-propylpyrimidin-4-yl)amino]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-5-yl]-[(2S)-2,4,5,5-tetramethylpiperazin-1-yl]methanone?
The InChIKey is OOKMPJVYBPSYMC-AWEZNQCLSA-N. The full InChI is InChI=1S/C23H35FN8O/c1-8-9-17-25-10-16(24)20(26-17)27-19-15-12-32(23(5,6)18(15)28-29-19)21(33)31-13-22(3,4)30(7)11-14(31)2/h10,14H,8-9,11-13H2,1-7H3,(H2,25,26,27,28,29)/t14-/m0/s1.
What are the key properties of [3-[(5-fluoro-2-propylpyrimidin-4-yl)amino]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-5-yl]-[(2S)-2,4,5,5-tetramethylpiperazin-1-yl]methanone?
[3-[(5-fluoro-2-propylpyrimidin-4-yl)amino]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-5-yl]-[(2S)-2,4,5,5-tetramethylpiperazin-1-yl]methanone has a molecular weight of 458.59 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(5-fluoro-2-propylpyrimidin-4-yl)amino]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-5-yl]-[(2S)-2,4,5,5-tetramethylpiperazin-1-yl]methanone is sourced from PubChem (CID 25155477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).