N-[2-(1-hydroxy-2-methylpropan-2-yl)-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

About N-[2-(1-hydroxy-2-methylpropan-2-yl)-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[2-(1-hydroxy-2-methylpropan-2-yl)-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 129283987) has the molecular formula C23H26N6O4 and a molecular weight of 450.50 g/mol. Its IUPAC name is N-[2-(1-hydroxy-2-methylpropan-2-yl)-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name	N-[2-(1-hydroxy-2-methylpropan-2-yl)-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID	129283987
Molecular Formula	C23H26N6O4
Molecular Weight	450.50 g/mol
Exact Mass	450.20
IUPAC Name	N-[2-(1-hydroxy-2-methylpropan-2-yl)-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILES	CC(C)(CO)N1Cc2cc(NC(=O)c3cnn4cccnc34)c(N3CCOCC3)cc2C1=O
InChI	InChI=1S/C23H26N6O4/c1-23(2,14-30)28-13-15-10-18(19(11-16(15)22(28)32)27-6-8-33-9-7-27)26-21(31)17-12-25-29-5-3-4-24-20(17)29/h3-5,10-12,30H,6-9,13-14H2,1-2H3,(H,26,31)
InChIKey	QKYZOMCVDXSKJW-UHFFFAOYSA-N
XLogP	1.54
TPSA	112.30 Å²
H-Bond Donors	2
H-Bond Acceptors	8
Rotatable Bonds	5
Heavy Atoms	33
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	450.50
LogP ≤ 5	1.54
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-hydroxy-2-methylpropan-2-yl)-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of N-[2-(1-hydroxy-2-methylpropan-2-yl)-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 129283987) is N-[2-(1-hydroxy-2-methylpropan-2-yl)-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for N-[2-(1-hydroxy-2-methylpropan-2-yl)-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-[2-(1-hydroxy-2-methylpropan-2-yl)-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CC(C)(CO)N1Cc2cc(NC(=O)c3cnn4cccnc34)c(N3CCOCC3)cc2C1=O.

What is the InChIKey of N-[2-(1-hydroxy-2-methylpropan-2-yl)-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is QKYZOMCVDXSKJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O4/c1-23(2,14-30)28-13-15-10-18(19(11-16(15)22(28)32)27-6-8-33-9-7-27)26-21(31)17-12-25-29-5-3-4-24-20(17)29/h3-5,10-12,30H,6-9,13-14H2,1-2H3,(H,26,31).

What are the key properties of N-[2-(1-hydroxy-2-methylpropan-2-yl)-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

N-[2-(1-hydroxy-2-methylpropan-2-yl)-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 450.50 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(1-hydroxy-2-methylpropan-2-yl)-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 129283987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).