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

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

N-[2-(2,2-difluoro-3-hydroxypropyl)-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 129298093) has the molecular formula C22H22F2N6O4 and a molecular weight of 472.45 g/mol. Its IUPAC name is N-[2-(2,2-difluoro-3-hydroxypropyl)-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name	N-[2-(2,2-difluoro-3-hydroxypropyl)-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID	129298093
Molecular Formula	C22H22F2N6O4
Molecular Weight	472.45 g/mol
Exact Mass	472.17
IUPAC Name	N-[2-(2,2-difluoro-3-hydroxypropyl)-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)(F)CO)C2)c1cnn2cccnc12
InChI	InChI=1S/C22H22F2N6O4/c23-22(24,13-31)12-29-11-14-8-17(18(9-15(14)21(29)33)28-4-6-34-7-5-28)27-20(32)16-10-26-30-3-1-2-25-19(16)30/h1-3,8-10,31H,4-7,11-13H2,(H,27,32)
InChIKey	QQJZUVRXBPQJOT-UHFFFAOYSA-N
XLogP	1.40
TPSA	112.30 Å²
H-Bond Donors	2
H-Bond Acceptors	8
Rotatable Bonds	6
Heavy Atoms	34
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	472.45
LogP ≤ 5	1.40
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-(2,2-difluoro-3-hydroxypropyl)-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of N-[2-(2,2-difluoro-3-hydroxypropyl)-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 129298093) is N-[2-(2,2-difluoro-3-hydroxypropyl)-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-(2,2-difluoro-3-hydroxypropyl)-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-[2-(2,2-difluoro-3-hydroxypropyl)-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)(F)CO)C2)c1cnn2cccnc12.

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

The InChIKey is QQJZUVRXBPQJOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2N6O4/c23-22(24,13-31)12-29-11-14-8-17(18(9-15(14)21(29)33)28-4-6-34-7-5-28)27-20(32)16-10-26-30-3-1-2-25-19(16)30/h1-3,8-10,31H,4-7,11-13H2,(H,27,32).

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

N-[2-(2,2-difluoro-3-hydroxypropyl)-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 472.45 g/mol, XLogP of 1.40, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(2,2-difluoro-3-hydroxypropyl)-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 129298093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).