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

C25H24N6O — CID 162652868

IUPAC5-(2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)-2-[(1S)-1-cyclopropylethyl]-7-methyl-3H-isoindol-1-one
SMILESCc1cc(-c2ccn3nc(N)c(-c4ccccn4)c3n2)cc2c1C(=O)N([C@@H](C)C1CC1)C2
InChIInChI=1S/C25H24N6O/c1-14-11-17(12-18-13-30(25(32)21(14)18)15(2)16-6-7-16)19-8-10-31-24(28-19)22(23(26)29-31)20-5-3-4-9-27-20/h3-5,8-12,15-16H,6-7,13H2,1-2H3,(H2,26,29)/t15-/m0/s1
InChIKeySOTXCCDMWLOUTG-HNNXBMFYSA-N
MW424.51 g/mol
LogP4.10
Rot. Bonds4

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

5-(2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)-2-[(1S)-1-cyclopropylethyl]-7-methyl-3H-isoindol-1-one (PubChem CID 162652868) has the molecular formula C25H24N6O and a molecular weight of 424.51 g/mol. Its IUPAC name is 5-(2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)-2-[(1S)-1-cyclopropylethyl]-7-methyl-3H-isoindol-1-one.

Molecular Properties

Compound Name5-(2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)-2-[(1S)-1-cyclopropylethyl]-7-methyl-3H-isoindol-1-one
PubChem CID162652868
Molecular FormulaC25H24N6O
Molecular Weight424.51 g/mol
Exact Mass424.20
IUPAC Name5-(2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)-2-[(1S)-1-cyclopropylethyl]-7-methyl-3H-isoindol-1-one
SMILESCc1cc(-c2ccn3nc(N)c(-c4ccccn4)c3n2)cc2c1C(=O)N([C@@H](C)C1CC1)C2
InChIInChI=1S/C25H24N6O/c1-14-11-17(12-18-13-30(25(32)21(14)18)15(2)16-6-7-16)19-8-10-31-24(28-19)22(23(26)29-31)20-5-3-4-9-27-20/h3-5,8-12,15-16H,6-7,13H2,1-2H3,(H2,26,29)/t15-/m0/s1
InChIKeySOTXCCDMWLOUTG-HNNXBMFYSA-N
XLogP4.10
TPSA89.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.51
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-3-pyridin-2-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-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)-2-[(1S)-1-cyclopropylethyl]-7-methyl-3H-isoindol-1-one (CID 162652868) is 5-(2-amino-3-pyridin-2-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-pyridin-2-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-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)-2-[(1S)-1-cyclopropylethyl]-7-methyl-3H-isoindol-1-one is Cc1cc(-c2ccn3nc(N)c(-c4ccccn4)c3n2)cc2c1C(=O)N([C@@H](C)C1CC1)C2.
What is the InChIKey of 5-(2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)-2-[(1S)-1-cyclopropylethyl]-7-methyl-3H-isoindol-1-one?
The InChIKey is SOTXCCDMWLOUTG-HNNXBMFYSA-N. The full InChI is InChI=1S/C25H24N6O/c1-14-11-17(12-18-13-30(25(32)21(14)18)15(2)16-6-7-16)19-8-10-31-24(28-19)22(23(26)29-31)20-5-3-4-9-27-20/h3-5,8-12,15-16H,6-7,13H2,1-2H3,(H2,26,29)/t15-/m0/s1.
What are the key properties of 5-(2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)-2-[(1S)-1-cyclopropylethyl]-7-methyl-3H-isoindol-1-one?
5-(2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)-2-[(1S)-1-cyclopropylethyl]-7-methyl-3H-isoindol-1-one has a molecular weight of 424.51 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)-2-[(1S)-1-cyclopropylethyl]-7-methyl-3H-isoindol-1-one is sourced from PubChem (CID 162652868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).