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

C24H26N6O4 — CID 135354371

IUPACN-[6-morpholin-4-yl-1-oxo-2-(oxolan-3-ylmethyl)-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1cc2c(cc1N1CCOCC1)C(=O)N(CC1CCOC1)C2)c1cnn2cccnc12
InChIInChI=1S/C24H26N6O4/c31-23(19-12-26-30-4-1-3-25-22(19)30)27-20-10-17-14-29(13-16-2-7-34-15-16)24(32)18(17)11-21(20)28-5-8-33-9-6-28/h1,3-4,10-12,16H,2,5-9,13-15H2,(H,27,31)
InChIKeyOOQAKQFSMLYULC-UHFFFAOYSA-N
MW462.51 g/mol
LogP1.81
Rot. Bonds5

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

N-[6-morpholin-4-yl-1-oxo-2-(oxolan-3-ylmethyl)-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 135354371) has the molecular formula C24H26N6O4 and a molecular weight of 462.51 g/mol. Its IUPAC name is N-[6-morpholin-4-yl-1-oxo-2-(oxolan-3-ylmethyl)-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[6-morpholin-4-yl-1-oxo-2-(oxolan-3-ylmethyl)-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID135354371
Molecular FormulaC24H26N6O4
Molecular Weight462.51 g/mol
Exact Mass462.20
IUPAC NameN-[6-morpholin-4-yl-1-oxo-2-(oxolan-3-ylmethyl)-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1cc2c(cc1N1CCOCC1)C(=O)N(CC1CCOC1)C2)c1cnn2cccnc12
InChIInChI=1S/C24H26N6O4/c31-23(19-12-26-30-4-1-3-25-22(19)30)27-20-10-17-14-29(13-16-2-7-34-15-16)24(32)18(17)11-21(20)28-5-8-33-9-6-28/h1,3-4,10-12,16H,2,5-9,13-15H2,(H,27,31)
InChIKeyOOQAKQFSMLYULC-UHFFFAOYSA-N
XLogP1.81
TPSA101.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.51
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

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
N-[6-morpholin-4-yl-1-oxo-2-(2-pyrrolidin-1-ylethyl)-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137367426
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
N-[6-morpholin-4-yl-2-(2-morpholin-4-ylpropyl)-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 135354409
N-[2-(2,2-difluoro-3-hydroxy-3-methylbutyl)-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129298092
N-[2-[(2S)-2-fluoro-3-hydroxybutyl]-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 135354425
N-[2-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[2-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 160659318
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
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
N-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-(2-fluoro-3-hydroxy-3-methylbutyl)-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146483214
N-[6-[4-[(1R)-2,2-difluoro-1-hydroxyethyl]piperidin-1-yl]-2-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 135354459
N-[(1R)-1-hydroxy-2,2-dimethyl-6-morpholin-4-yl-1,3-dihydroinden-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129284097

Frequently Asked Questions

What is the IUPAC name of N-[6-morpholin-4-yl-1-oxo-2-(oxolan-3-ylmethyl)-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[6-morpholin-4-yl-1-oxo-2-(oxolan-3-ylmethyl)-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 135354371) is N-[6-morpholin-4-yl-1-oxo-2-(oxolan-3-ylmethyl)-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[6-morpholin-4-yl-1-oxo-2-(oxolan-3-ylmethyl)-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[6-morpholin-4-yl-1-oxo-2-(oxolan-3-ylmethyl)-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(Nc1cc2c(cc1N1CCOCC1)C(=O)N(CC1CCOC1)C2)c1cnn2cccnc12.
What is the InChIKey of N-[6-morpholin-4-yl-1-oxo-2-(oxolan-3-ylmethyl)-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is OOQAKQFSMLYULC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O4/c31-23(19-12-26-30-4-1-3-25-22(19)30)27-20-10-17-14-29(13-16-2-7-34-15-16)24(32)18(17)11-21(20)28-5-8-33-9-6-28/h1,3-4,10-12,16H,2,5-9,13-15H2,(H,27,31).
What are the key properties of N-[6-morpholin-4-yl-1-oxo-2-(oxolan-3-ylmethyl)-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[6-morpholin-4-yl-1-oxo-2-(oxolan-3-ylmethyl)-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 462.51 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-morpholin-4-yl-1-oxo-2-(oxolan-3-ylmethyl)-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 135354371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).