2-[(2R)-1-(2-methylpropanoyl)pyrrolidin-2-yl]-5-(1-propan-2-ylpiperidin-4-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

C22H33N5O2 — CID 98079538

IUPAC2-[(2R)-1-(2-methylpropanoyl)pyrrolidin-2-yl]-5-(1-propan-2-ylpiperidin-4-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCC(C)C(=O)N1CCC[C@@H]1c1cc2nc(C3CCN(C(C)C)CC3)cc(=O)n2[nH]1
InChIInChI=1S/C22H33N5O2/c1-14(2)22(29)26-9-5-6-19(26)18-12-20-23-17(13-21(28)27(20)24-18)16-7-10-25(11-8-16)15(3)4/h12-16,19,24H,5-11H2,1-4H3/t19-/m1/s1
InChIKeySCVJRMAMHDFPPK-LJQANCHMSA-N
MW399.54 g/mol
LogP2.93
Rot. Bonds4

About 2-[(2R)-1-(2-methylpropanoyl)pyrrolidin-2-yl]-5-(1-propan-2-ylpiperidin-4-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

2-[(2R)-1-(2-methylpropanoyl)pyrrolidin-2-yl]-5-(1-propan-2-ylpiperidin-4-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 98079538) has the molecular formula C22H33N5O2 and a molecular weight of 399.54 g/mol. Its IUPAC name is 2-[(2R)-1-(2-methylpropanoyl)pyrrolidin-2-yl]-5-(1-propan-2-ylpiperidin-4-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-[(2R)-1-(2-methylpropanoyl)pyrrolidin-2-yl]-5-(1-propan-2-ylpiperidin-4-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID98079538
Molecular FormulaC22H33N5O2
Molecular Weight399.54 g/mol
Exact Mass399.26
IUPAC Name2-[(2R)-1-(2-methylpropanoyl)pyrrolidin-2-yl]-5-(1-propan-2-ylpiperidin-4-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCC(C)C(=O)N1CCC[C@@H]1c1cc2nc(C3CCN(C(C)C)CC3)cc(=O)n2[nH]1
InChIInChI=1S/C22H33N5O2/c1-14(2)22(29)26-9-5-6-19(26)18-12-20-23-17(13-21(28)27(20)24-18)16-7-10-25(11-8-16)15(3)4/h12-16,19,24H,5-11H2,1-4H3/t19-/m1/s1
InChIKeySCVJRMAMHDFPPK-LJQANCHMSA-N
XLogP2.93
TPSA73.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-(2-methylpropanoyl)pyrrolidin-2-yl]-5-(1-propan-2-ylpiperidin-4-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-[(2R)-1-(2-methylpropanoyl)pyrrolidin-2-yl]-5-(1-propan-2-ylpiperidin-4-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 98079538) is 2-[(2R)-1-(2-methylpropanoyl)pyrrolidin-2-yl]-5-(1-propan-2-ylpiperidin-4-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-[(2R)-1-(2-methylpropanoyl)pyrrolidin-2-yl]-5-(1-propan-2-ylpiperidin-4-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-[(2R)-1-(2-methylpropanoyl)pyrrolidin-2-yl]-5-(1-propan-2-ylpiperidin-4-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is CC(C)C(=O)N1CCC[C@@H]1c1cc2nc(C3CCN(C(C)C)CC3)cc(=O)n2[nH]1.
What is the InChIKey of 2-[(2R)-1-(2-methylpropanoyl)pyrrolidin-2-yl]-5-(1-propan-2-ylpiperidin-4-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is SCVJRMAMHDFPPK-LJQANCHMSA-N. The full InChI is InChI=1S/C22H33N5O2/c1-14(2)22(29)26-9-5-6-19(26)18-12-20-23-17(13-21(28)27(20)24-18)16-7-10-25(11-8-16)15(3)4/h12-16,19,24H,5-11H2,1-4H3/t19-/m1/s1.
What are the key properties of 2-[(2R)-1-(2-methylpropanoyl)pyrrolidin-2-yl]-5-(1-propan-2-ylpiperidin-4-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
2-[(2R)-1-(2-methylpropanoyl)pyrrolidin-2-yl]-5-(1-propan-2-ylpiperidin-4-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 399.54 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-(2-methylpropanoyl)pyrrolidin-2-yl]-5-(1-propan-2-ylpiperidin-4-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 98079538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).