5-[4-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-2-pyrrolidin-1-ylpyrimidin-5-yl]-3-methyl-1,2-oxazole

C23H31N7O — CID 92554598

IUPAC5-[4-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-2-pyrrolidin-1-ylpyrimidin-5-yl]-3-methyl-1,2-oxazole
SMILESCc1cc(-c2cnc(N3CCCC3)nc2C2CCN(Cc3cnn(C)c3C)CC2)on1
InChIInChI=1S/C23H31N7O/c1-16-12-21(31-27-16)20-14-24-23(30-8-4-5-9-30)26-22(20)18-6-10-29(11-7-18)15-19-13-25-28(3)17(19)2/h12-14,18H,4-11,15H2,1-3H3
InChIKeyFZIBFXFGPDOUSU-UHFFFAOYSA-N
MW421.55 g/mol
LogP3.46
Rot. Bonds5

About 5-[4-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-2-pyrrolidin-1-ylpyrimidin-5-yl]-3-methyl-1,2-oxazole

5-[4-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-2-pyrrolidin-1-ylpyrimidin-5-yl]-3-methyl-1,2-oxazole (PubChem CID 92554598) has the molecular formula C23H31N7O and a molecular weight of 421.55 g/mol. Its IUPAC name is 5-[4-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-2-pyrrolidin-1-ylpyrimidin-5-yl]-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-[4-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-2-pyrrolidin-1-ylpyrimidin-5-yl]-3-methyl-1,2-oxazole
PubChem CID92554598
Molecular FormulaC23H31N7O
Molecular Weight421.55 g/mol
Exact Mass421.26
IUPAC Name5-[4-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-2-pyrrolidin-1-ylpyrimidin-5-yl]-3-methyl-1,2-oxazole
SMILESCc1cc(-c2cnc(N3CCCC3)nc2C2CCN(Cc3cnn(C)c3C)CC2)on1
InChIInChI=1S/C23H31N7O/c1-16-12-21(31-27-16)20-14-24-23(30-8-4-5-9-30)26-22(20)18-6-10-29(11-7-18)15-19-13-25-28(3)17(19)2/h12-14,18H,4-11,15H2,1-3H3
InChIKeyFZIBFXFGPDOUSU-UHFFFAOYSA-N
XLogP3.46
TPSA76.11 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.55
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-2-pyrrolidin-1-ylpyrimidin-5-yl]-3-methyl-1,2-oxazole?
The IUPAC name of 5-[4-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-2-pyrrolidin-1-ylpyrimidin-5-yl]-3-methyl-1,2-oxazole (CID 92554598) is 5-[4-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-2-pyrrolidin-1-ylpyrimidin-5-yl]-3-methyl-1,2-oxazole.
What is the SMILES notation for 5-[4-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-2-pyrrolidin-1-ylpyrimidin-5-yl]-3-methyl-1,2-oxazole?
The canonical SMILES for 5-[4-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-2-pyrrolidin-1-ylpyrimidin-5-yl]-3-methyl-1,2-oxazole is Cc1cc(-c2cnc(N3CCCC3)nc2C2CCN(Cc3cnn(C)c3C)CC2)on1.
What is the InChIKey of 5-[4-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-2-pyrrolidin-1-ylpyrimidin-5-yl]-3-methyl-1,2-oxazole?
The InChIKey is FZIBFXFGPDOUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N7O/c1-16-12-21(31-27-16)20-14-24-23(30-8-4-5-9-30)26-22(20)18-6-10-29(11-7-18)15-19-13-25-28(3)17(19)2/h12-14,18H,4-11,15H2,1-3H3.
What are the key properties of 5-[4-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-2-pyrrolidin-1-ylpyrimidin-5-yl]-3-methyl-1,2-oxazole?
5-[4-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-2-pyrrolidin-1-ylpyrimidin-5-yl]-3-methyl-1,2-oxazole has a molecular weight of 421.55 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-2-pyrrolidin-1-ylpyrimidin-5-yl]-3-methyl-1,2-oxazole is sourced from PubChem (CID 92554598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).