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

C23H23N7O — CID 162649098

IUPAC5-[2-amino-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-2-[(1S)-1-cyclopropylethyl]-7-methyl-3H-isoindol-1-one
SMILESCc1cc(-c2ccn3nc(N)c(-c4ccn[nH]4)c3n2)cc2c1C(=O)N([C@@H](C)C1CC1)C2
InChIInChI=1S/C23H23N7O/c1-12-9-15(10-16-11-29(23(31)19(12)16)13(2)14-3-4-14)17-6-8-30-22(26-17)20(21(24)28-30)18-5-7-25-27-18/h5-10,13-14H,3-4,11H2,1-2H3,(H2,24,28)(H,25,27)/t13-/m0/s1
InChIKeyPQBVZOZDXDLAAC-ZDUSSCGKSA-N
MW413.49 g/mol
LogP3.43
Rot. Bonds4

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

5-[2-amino-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-2-[(1S)-1-cyclopropylethyl]-7-methyl-3H-isoindol-1-one (PubChem CID 162649098) has the molecular formula C23H23N7O and a molecular weight of 413.49 g/mol. Its IUPAC name is 5-[2-amino-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-2-[(1S)-1-cyclopropylethyl]-7-methyl-3H-isoindol-1-one.

Molecular Properties

Compound Name5-[2-amino-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-2-[(1S)-1-cyclopropylethyl]-7-methyl-3H-isoindol-1-one
PubChem CID162649098
Molecular FormulaC23H23N7O
Molecular Weight413.49 g/mol
Exact Mass413.20
IUPAC Name5-[2-amino-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-2-[(1S)-1-cyclopropylethyl]-7-methyl-3H-isoindol-1-one
SMILESCc1cc(-c2ccn3nc(N)c(-c4ccn[nH]4)c3n2)cc2c1C(=O)N([C@@H](C)C1CC1)C2
InChIInChI=1S/C23H23N7O/c1-12-9-15(10-16-11-29(23(31)19(12)16)13(2)14-3-4-14)17-6-8-30-22(26-17)20(21(24)28-30)18-5-7-25-27-18/h5-10,13-14H,3-4,11H2,1-2H3,(H2,24,28)(H,25,27)/t13-/m0/s1
InChIKeyPQBVZOZDXDLAAC-ZDUSSCGKSA-N
XLogP3.43
TPSA105.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.49
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-amino-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-2-[(1S)-1-cyclopropylethyl]-7-methyl-3H-isoindol-1-one?
The IUPAC name of 5-[2-amino-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-2-[(1S)-1-cyclopropylethyl]-7-methyl-3H-isoindol-1-one (CID 162649098) is 5-[2-amino-3-(1H-pyrazol-5-yl)pyrazolo[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-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-2-[(1S)-1-cyclopropylethyl]-7-methyl-3H-isoindol-1-one?
The canonical SMILES for 5-[2-amino-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-2-[(1S)-1-cyclopropylethyl]-7-methyl-3H-isoindol-1-one is Cc1cc(-c2ccn3nc(N)c(-c4ccn[nH]4)c3n2)cc2c1C(=O)N([C@@H](C)C1CC1)C2.
What is the InChIKey of 5-[2-amino-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-2-[(1S)-1-cyclopropylethyl]-7-methyl-3H-isoindol-1-one?
The InChIKey is PQBVZOZDXDLAAC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C23H23N7O/c1-12-9-15(10-16-11-29(23(31)19(12)16)13(2)14-3-4-14)17-6-8-30-22(26-17)20(21(24)28-30)18-5-7-25-27-18/h5-10,13-14H,3-4,11H2,1-2H3,(H2,24,28)(H,25,27)/t13-/m0/s1.
What are the key properties of 5-[2-amino-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-2-[(1S)-1-cyclopropylethyl]-7-methyl-3H-isoindol-1-one?
5-[2-amino-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-2-[(1S)-1-cyclopropylethyl]-7-methyl-3H-isoindol-1-one has a molecular weight of 413.49 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-amino-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-2-[(1S)-1-cyclopropylethyl]-7-methyl-3H-isoindol-1-one is sourced from PubChem (CID 162649098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).