N-[2-[(1S,2R)-2-(hydroxymethyl)cyclopentyl]-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[2-[(1R,2S)-2-(hydroxymethyl)cyclopentyl]-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C50H56N12O8 — CID 158796928

About N-[2-[(1S,2R)-2-(hydroxymethyl)cyclopentyl]-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[2-[(1R,2S)-2-(hydroxymethyl)cyclopentyl]-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[2-[(1S,2R)-2-(hydroxymethyl)cyclopentyl]-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[2-[(1R,2S)-2-(hydroxymethyl)cyclopentyl]-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 158796928) has the molecular formula C50H56N12O8 and a molecular weight of 953.07 g/mol. Its IUPAC name is N-[2-[(1S,2R)-2-(hydroxymethyl)cyclopentyl]-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[2-[(1R,2S)-2-(hydroxymethyl)cyclopentyl]-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[2-[(1S,2R)-2-(hydroxymethyl)cyclopentyl]-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[2-[(1R,2S)-2-(hydroxymethyl)cyclopentyl]-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 158796928
• Molecular Formula: C50H56N12O8
• Molecular Weight: 953.07 g/mol
• Exact Mass: 952.43
• IUPAC Name: N-[2-[(1S,2R)-2-(hydroxymethyl)cyclopentyl]-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[2-[(1R,2S)-2-(hydroxymethyl)cyclopentyl]-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([C@@H]1CCC[C@@H]1CO)C2)c1cnn2cccnc12.O=C(Nc1cc2c(cc1N1CCOCC1)C(=O)N([C@H]1CCC[C@H]1CO)C2)c1cnn2cccnc12
• InChI: InChI=1S/2C25H28N6O4/c2*32-15-16-3-1-4-21(16)30-14-17-11-20(22(12-18(17)25(30)34)29-7-9-35-10-8-29)28-24(33)19-13-27-31-6-2-5-26-23(19)31/h2*2,5-6,11-13,16,21,32H,1,3-4,7-10,14-15H2,(H,28,33)/t2*16-,21-/m10/s1
• InChIKey: ISYZAJMANWIRDN-BAJWUHJPSA-N
• XLogP: 3.87
• TPSA: 224.60 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 10
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	953.07
LogP ≤ 5	3.87
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of N-[2-[(1S,2R)-2-(hydroxymethyl)cyclopentyl]-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[2-[(1R,2S)-2-(hydroxymethyl)cyclopentyl]-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 158796928) is N-[2-[(1S,2R)-2-(hydroxymethyl)cyclopentyl]-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[2-[(1R,2S)-2-(hydroxymethyl)cyclopentyl]-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-[(1S,2R)-2-(hydroxymethyl)cyclopentyl]-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[2-[(1R,2S)-2-(hydroxymethyl)cyclopentyl]-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-[2-[(1S,2R)-2-(hydroxymethyl)cyclopentyl]-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[2-[(1R,2S)-2-(hydroxymethyl)cyclopentyl]-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([C@@H]1CCC[C@@H]1CO)C2)c1cnn2cccnc12.O=C(Nc1cc2c(cc1N1CCOCC1)C(=O)N([C@H]1CCC[C@H]1CO)C2)c1cnn2cccnc12.

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

The InChIKey is ISYZAJMANWIRDN-BAJWUHJPSA-N. The full InChI is InChI=1S/2C25H28N6O4/c2*32-15-16-3-1-4-21(16)30-14-17-11-20(22(12-18(17)25(30)34)29-7-9-35-10-8-29)28-24(33)19-13-27-31-6-2-5-26-23(19)31/h2*2,5-6,11-13,16,21,32H,1,3-4,7-10,14-15H2,(H,28,33)/t2*16-,21-/m10/s1.

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

N-[2-[(1S,2R)-2-(hydroxymethyl)cyclopentyl]-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[2-[(1R,2S)-2-(hydroxymethyl)cyclopentyl]-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 953.07 g/mol, XLogP of 3.87, 10 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[(1S,2R)-2-(hydroxymethyl)cyclopentyl]-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[2-[(1R,2S)-2-(hydroxymethyl)cyclopentyl]-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 158796928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).