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

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

N-[2-[2-fluoro-2-(oxetan-3-yl)ethyl]-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137367560) has the molecular formula C24H25FN6O4 and a molecular weight of 480.50 g/mol. Its IUPAC name is N-[2-[2-fluoro-2-(oxetan-3-yl)ethyl]-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name	N-[2-[2-fluoro-2-(oxetan-3-yl)ethyl]-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID	137367560
Molecular Formula	C24H25FN6O4
Molecular Weight	480.50 g/mol
Exact Mass	480.19
IUPAC Name	N-[2-[2-fluoro-2-(oxetan-3-yl)ethyl]-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILES	O=C(Nc1cc2c(cc1N1CCOCC1)C(=O)N(CC(F)C1COC1)C2)c1cnn2cccnc12
InChI	InChI=1S/C24H25FN6O4/c25-19(16-13-35-14-16)12-30-11-15-8-20(21(9-17(15)24(30)33)29-4-6-34-7-5-29)28-23(32)18-10-27-31-3-1-2-26-22(18)31/h1-3,8-10,16,19H,4-7,11-14H2,(H,28,32)
InChIKey	XIKWRUDRZKRCSU-UHFFFAOYSA-N
XLogP	1.76
TPSA	101.30 Å²
H-Bond Donors	1
H-Bond Acceptors	8
Rotatable Bonds	6
Heavy Atoms	35
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	480.50
LogP ≤ 5	1.76
H-Bond Donors ≤ 5	1
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-[2-fluoro-2-(oxetan-3-yl)ethyl]-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of N-[2-[2-fluoro-2-(oxetan-3-yl)ethyl]-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137367560) is N-[2-[2-fluoro-2-(oxetan-3-yl)ethyl]-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-[2-fluoro-2-(oxetan-3-yl)ethyl]-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-[2-[2-fluoro-2-(oxetan-3-yl)ethyl]-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(Nc1cc2c(cc1N1CCOCC1)C(=O)N(CC(F)C1COC1)C2)c1cnn2cccnc12.

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

The InChIKey is XIKWRUDRZKRCSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN6O4/c25-19(16-13-35-14-16)12-30-11-15-8-20(21(9-17(15)24(30)33)29-4-6-34-7-5-29)28-23(32)18-10-27-31-3-1-2-26-22(18)31/h1-3,8-10,16,19H,4-7,11-14H2,(H,28,32).

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

N-[2-[2-fluoro-2-(oxetan-3-yl)ethyl]-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 480.50 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-fluoro-2-(oxetan-3-yl)ethyl]-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137367560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).