2-(3-chlorophenyl)-2-[3-methyl-5-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]ethanol

C23H25ClN8O — CID 166634888

IUPAC2-(3-chlorophenyl)-2-[3-methyl-5-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]ethanol
SMILESCc1cnc(Nc2ccnn2C)nc1N1Cc2nn(C(CO)c3cccc(Cl)c3)c(C)c2C1
InChIInChI=1S/C23H25ClN8O/c1-14-10-25-23(27-21-7-8-26-30(21)3)28-22(14)31-11-18-15(2)32(29-19(18)12-31)20(13-33)16-5-4-6-17(24)9-16/h4-10,20,33H,11-13H2,1-3H3,(H,25,27,28)
InChIKeyMSDCROCFUJGBCQ-UHFFFAOYSA-N
MW464.96 g/mol
LogP3.52
Rot. Bonds6

About 2-(3-chlorophenyl)-2-[3-methyl-5-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]ethanol

2-(3-chlorophenyl)-2-[3-methyl-5-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]ethanol (PubChem CID 166634888) has the molecular formula C23H25ClN8O and a molecular weight of 464.96 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-2-[3-methyl-5-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]ethanol.

Molecular Properties

Compound Name2-(3-chlorophenyl)-2-[3-methyl-5-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]ethanol
PubChem CID166634888
Molecular FormulaC23H25ClN8O
Molecular Weight464.96 g/mol
Exact Mass464.18
IUPAC Name2-(3-chlorophenyl)-2-[3-methyl-5-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]ethanol
SMILESCc1cnc(Nc2ccnn2C)nc1N1Cc2nn(C(CO)c3cccc(Cl)c3)c(C)c2C1
InChIInChI=1S/C23H25ClN8O/c1-14-10-25-23(27-21-7-8-26-30(21)3)28-22(14)31-11-18-15(2)32(29-19(18)12-31)20(13-33)16-5-4-6-17(24)9-16/h4-10,20,33H,11-13H2,1-3H3,(H,25,27,28)
InChIKeyMSDCROCFUJGBCQ-UHFFFAOYSA-N
XLogP3.52
TPSA96.92 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.96
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-(3-chlorophenyl)-2-[3-methyl-5-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]ethanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-2-[3-methyl-5-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]ethanol?
The IUPAC name of 2-(3-chlorophenyl)-2-[3-methyl-5-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]ethanol (CID 166634888) is 2-(3-chlorophenyl)-2-[3-methyl-5-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]ethanol.
What is the SMILES notation for 2-(3-chlorophenyl)-2-[3-methyl-5-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]ethanol?
The canonical SMILES for 2-(3-chlorophenyl)-2-[3-methyl-5-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]ethanol is Cc1cnc(Nc2ccnn2C)nc1N1Cc2nn(C(CO)c3cccc(Cl)c3)c(C)c2C1.
What is the InChIKey of 2-(3-chlorophenyl)-2-[3-methyl-5-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]ethanol?
The InChIKey is MSDCROCFUJGBCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN8O/c1-14-10-25-23(27-21-7-8-26-30(21)3)28-22(14)31-11-18-15(2)32(29-19(18)12-31)20(13-33)16-5-4-6-17(24)9-16/h4-10,20,33H,11-13H2,1-3H3,(H,25,27,28).
What are the key properties of 2-(3-chlorophenyl)-2-[3-methyl-5-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]ethanol?
2-(3-chlorophenyl)-2-[3-methyl-5-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]ethanol has a molecular weight of 464.96 g/mol, XLogP of 3.52, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-2-[3-methyl-5-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]ethanol is sourced from PubChem (CID 166634888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).