2-amino-N-cyclopropyl-5-[2-(1-cyclopropylethyl)-7-hydroxy-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C23H24N6O3 — CID 155384116

IUPAC2-amino-N-cyclopropyl-5-[2-(1-cyclopropylethyl)-7-hydroxy-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(C1CC1)N1Cc2cc(-c3ccn4nc(N)c(C(=O)NC5CC5)c4n3)cc(O)c2C1=O
InChIInChI=1S/C23H24N6O3/c1-11(12-2-3-12)28-10-14-8-13(9-17(30)18(14)23(28)32)16-6-7-29-21(26-16)19(20(24)27-29)22(31)25-15-4-5-15/h6-9,11-12,15,30H,2-5,10H2,1H3,(H2,24,27)(H,25,31)
InChIKeyJGPJIXIHZMEXRF-UHFFFAOYSA-N
MW432.48 g/mol
LogP2.33
Rot. Bonds5

About 2-amino-N-cyclopropyl-5-[2-(1-cyclopropylethyl)-7-hydroxy-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

2-amino-N-cyclopropyl-5-[2-(1-cyclopropylethyl)-7-hydroxy-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 155384116) has the molecular formula C23H24N6O3 and a molecular weight of 432.48 g/mol. Its IUPAC name is 2-amino-N-cyclopropyl-5-[2-(1-cyclopropylethyl)-7-hydroxy-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-cyclopropyl-5-[2-(1-cyclopropylethyl)-7-hydroxy-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID155384116
Molecular FormulaC23H24N6O3
Molecular Weight432.48 g/mol
Exact Mass432.19
IUPAC Name2-amino-N-cyclopropyl-5-[2-(1-cyclopropylethyl)-7-hydroxy-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(C1CC1)N1Cc2cc(-c3ccn4nc(N)c(C(=O)NC5CC5)c4n3)cc(O)c2C1=O
InChIInChI=1S/C23H24N6O3/c1-11(12-2-3-12)28-10-14-8-13(9-17(30)18(14)23(28)32)16-6-7-29-21(26-16)19(20(24)27-29)22(31)25-15-4-5-15/h6-9,11-12,15,30H,2-5,10H2,1H3,(H2,24,27)(H,25,31)
InChIKeyJGPJIXIHZMEXRF-UHFFFAOYSA-N
XLogP2.33
TPSA125.85 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-cyclopropyl-5-[2-(1-cyclopropylethyl)-7-hydroxy-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-N-cyclopropyl-5-[2-(1-cyclopropylethyl)-7-hydroxy-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 155384116) is 2-amino-N-cyclopropyl-5-[2-(1-cyclopropylethyl)-7-hydroxy-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-N-cyclopropyl-5-[2-(1-cyclopropylethyl)-7-hydroxy-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-N-cyclopropyl-5-[2-(1-cyclopropylethyl)-7-hydroxy-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CC(C1CC1)N1Cc2cc(-c3ccn4nc(N)c(C(=O)NC5CC5)c4n3)cc(O)c2C1=O.
What is the InChIKey of 2-amino-N-cyclopropyl-5-[2-(1-cyclopropylethyl)-7-hydroxy-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is JGPJIXIHZMEXRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O3/c1-11(12-2-3-12)28-10-14-8-13(9-17(30)18(14)23(28)32)16-6-7-29-21(26-16)19(20(24)27-29)22(31)25-15-4-5-15/h6-9,11-12,15,30H,2-5,10H2,1H3,(H2,24,27)(H,25,31).
What are the key properties of 2-amino-N-cyclopropyl-5-[2-(1-cyclopropylethyl)-7-hydroxy-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-N-cyclopropyl-5-[2-(1-cyclopropylethyl)-7-hydroxy-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 432.48 g/mol, XLogP of 2.33, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-cyclopropyl-5-[2-(1-cyclopropylethyl)-7-hydroxy-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 155384116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).