5-(2-amino-3-pyrimidin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-2-[(1S)-1-cyclopropylethyl]-7-methyl-3H-isoindol-1-one

C24H23N7O — CID 162666060

IUPAC5-(2-amino-3-pyrimidin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-2-[(1S)-1-cyclopropylethyl]-7-methyl-3H-isoindol-1-one
SMILESCc1cc(-c2ccn3nc(N)c(-c4ccncn4)c3n2)cc2c1C(=O)N([C@@H](C)C1CC1)C2
InChIInChI=1S/C24H23N7O/c1-13-9-16(10-17-11-30(24(32)20(13)17)14(2)15-3-4-15)18-6-8-31-23(28-18)21(22(25)29-31)19-5-7-26-12-27-19/h5-10,12,14-15H,3-4,11H2,1-2H3,(H2,25,29)/t14-/m0/s1
InChIKeyHPKHSLPHCPLSQM-AWEZNQCLSA-N
MW425.50 g/mol
LogP3.50
Rot. Bonds4

About 5-(2-amino-3-pyrimidin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-2-[(1S)-1-cyclopropylethyl]-7-methyl-3H-isoindol-1-one

5-(2-amino-3-pyrimidin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-2-[(1S)-1-cyclopropylethyl]-7-methyl-3H-isoindol-1-one (PubChem CID 162666060) has the molecular formula C24H23N7O and a molecular weight of 425.50 g/mol. Its IUPAC name is 5-(2-amino-3-pyrimidin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-2-[(1S)-1-cyclopropylethyl]-7-methyl-3H-isoindol-1-one.

Molecular Properties

Compound Name5-(2-amino-3-pyrimidin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-2-[(1S)-1-cyclopropylethyl]-7-methyl-3H-isoindol-1-one
PubChem CID162666060
Molecular FormulaC24H23N7O
Molecular Weight425.50 g/mol
Exact Mass425.20
IUPAC Name5-(2-amino-3-pyrimidin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-2-[(1S)-1-cyclopropylethyl]-7-methyl-3H-isoindol-1-one
SMILESCc1cc(-c2ccn3nc(N)c(-c4ccncn4)c3n2)cc2c1C(=O)N([C@@H](C)C1CC1)C2
InChIInChI=1S/C24H23N7O/c1-13-9-16(10-17-11-30(24(32)20(13)17)14(2)15-3-4-15)18-6-8-31-23(28-18)21(22(25)29-31)19-5-7-26-12-27-19/h5-10,12,14-15H,3-4,11H2,1-2H3,(H2,25,29)/t14-/m0/s1
InChIKeyHPKHSLPHCPLSQM-AWEZNQCLSA-N
XLogP3.50
TPSA102.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.50
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-3-pyrimidin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-2-[(1S)-1-cyclopropylethyl]-7-methyl-3H-isoindol-1-one?
The IUPAC name of 5-(2-amino-3-pyrimidin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-2-[(1S)-1-cyclopropylethyl]-7-methyl-3H-isoindol-1-one (CID 162666060) is 5-(2-amino-3-pyrimidin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-2-[(1S)-1-cyclopropylethyl]-7-methyl-3H-isoindol-1-one.
What is the SMILES notation for 5-(2-amino-3-pyrimidin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-2-[(1S)-1-cyclopropylethyl]-7-methyl-3H-isoindol-1-one?
The canonical SMILES for 5-(2-amino-3-pyrimidin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-2-[(1S)-1-cyclopropylethyl]-7-methyl-3H-isoindol-1-one is Cc1cc(-c2ccn3nc(N)c(-c4ccncn4)c3n2)cc2c1C(=O)N([C@@H](C)C1CC1)C2.
What is the InChIKey of 5-(2-amino-3-pyrimidin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-2-[(1S)-1-cyclopropylethyl]-7-methyl-3H-isoindol-1-one?
The InChIKey is HPKHSLPHCPLSQM-AWEZNQCLSA-N. The full InChI is InChI=1S/C24H23N7O/c1-13-9-16(10-17-11-30(24(32)20(13)17)14(2)15-3-4-15)18-6-8-31-23(28-18)21(22(25)29-31)19-5-7-26-12-27-19/h5-10,12,14-15H,3-4,11H2,1-2H3,(H2,25,29)/t14-/m0/s1.
What are the key properties of 5-(2-amino-3-pyrimidin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-2-[(1S)-1-cyclopropylethyl]-7-methyl-3H-isoindol-1-one?
5-(2-amino-3-pyrimidin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-2-[(1S)-1-cyclopropylethyl]-7-methyl-3H-isoindol-1-one has a molecular weight of 425.50 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-3-pyrimidin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-2-[(1S)-1-cyclopropylethyl]-7-methyl-3H-isoindol-1-one is sourced from PubChem (CID 162666060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).