N-[4-formyl-5-[[methyl(oxan-4-yl)amino]methyl]-2-morpholin-4-ylphenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C25H30N6O4 — CID 129297773

IUPACN-[4-formyl-5-[[methyl(oxan-4-yl)amino]methyl]-2-morpholin-4-ylphenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN(Cc1cc(NC(=O)c2cnn3cccnc23)c(N2CCOCC2)cc1C=O)C1CCOCC1
InChIInChI=1S/C25H30N6O4/c1-29(20-3-9-34-10-4-20)16-18-13-22(23(14-19(18)17-32)30-7-11-35-12-8-30)28-25(33)21-15-27-31-6-2-5-26-24(21)31/h2,5-6,13-15,17,20H,3-4,7-12,16H2,1H3,(H,28,33)
InChIKeyZPWBPLPIWNUPRQ-UHFFFAOYSA-N
MW478.55 g/mol
LogP2.24
Rot. Bonds7

About N-[4-formyl-5-[[methyl(oxan-4-yl)amino]methyl]-2-morpholin-4-ylphenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[4-formyl-5-[[methyl(oxan-4-yl)amino]methyl]-2-morpholin-4-ylphenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 129297773) has the molecular formula C25H30N6O4 and a molecular weight of 478.55 g/mol. Its IUPAC name is N-[4-formyl-5-[[methyl(oxan-4-yl)amino]methyl]-2-morpholin-4-ylphenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-formyl-5-[[methyl(oxan-4-yl)amino]methyl]-2-morpholin-4-ylphenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID129297773
Molecular FormulaC25H30N6O4
Molecular Weight478.55 g/mol
Exact Mass478.23
IUPAC NameN-[4-formyl-5-[[methyl(oxan-4-yl)amino]methyl]-2-morpholin-4-ylphenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN(Cc1cc(NC(=O)c2cnn3cccnc23)c(N2CCOCC2)cc1C=O)C1CCOCC1
InChIInChI=1S/C25H30N6O4/c1-29(20-3-9-34-10-4-20)16-18-13-22(23(14-19(18)17-32)30-7-11-35-12-8-30)28-25(33)21-15-27-31-6-2-5-26-24(21)31/h2,5-6,13-15,17,20H,3-4,7-12,16H2,1H3,(H,28,33)
InChIKeyZPWBPLPIWNUPRQ-UHFFFAOYSA-N
XLogP2.24
TPSA101.30 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.55
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

N-(5-chloro-2-morpholin-4-ylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58056194
N-[(2R)-2-ethyl-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129284178
N-(2-ethyl-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129284180
N-(1'-ethyl-6-morpholin-4-ylspiro[3H-1-benzofuran-2,4'-piperidine]-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129284364
N-[2-(iodomethyl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 167375705
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
N-[4-hydroxy-5-[[(1R)-2-hydroxy-1-(trifluoromethyl)cyclopropyl]methyl]-2-morpholin-4-ylphenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129297723
N-(3,3-dimethyl-7-morpholin-4-yl-2,4-dihydrochromen-6-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 152925341
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-[(2S)-2-methyl-2-(methylcarbamoyl)-6-morpholin-4-yl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129284270
N-[6-morpholin-4-yl-1-oxo-2-(oxolan-3-ylmethyl)-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 135354371
N-[(2S)-2-(2-hydroxy-2-methylpropyl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129284777

Frequently Asked Questions

What is the IUPAC name of N-[4-formyl-5-[[methyl(oxan-4-yl)amino]methyl]-2-morpholin-4-ylphenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[4-formyl-5-[[methyl(oxan-4-yl)amino]methyl]-2-morpholin-4-ylphenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 129297773) is N-[4-formyl-5-[[methyl(oxan-4-yl)amino]methyl]-2-morpholin-4-ylphenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[4-formyl-5-[[methyl(oxan-4-yl)amino]methyl]-2-morpholin-4-ylphenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[4-formyl-5-[[methyl(oxan-4-yl)amino]methyl]-2-morpholin-4-ylphenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CN(Cc1cc(NC(=O)c2cnn3cccnc23)c(N2CCOCC2)cc1C=O)C1CCOCC1.
What is the InChIKey of N-[4-formyl-5-[[methyl(oxan-4-yl)amino]methyl]-2-morpholin-4-ylphenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is ZPWBPLPIWNUPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O4/c1-29(20-3-9-34-10-4-20)16-18-13-22(23(14-19(18)17-32)30-7-11-35-12-8-30)28-25(33)21-15-27-31-6-2-5-26-24(21)31/h2,5-6,13-15,17,20H,3-4,7-12,16H2,1H3,(H,28,33).
What are the key properties of N-[4-formyl-5-[[methyl(oxan-4-yl)amino]methyl]-2-morpholin-4-ylphenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[4-formyl-5-[[methyl(oxan-4-yl)amino]methyl]-2-morpholin-4-ylphenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 478.55 g/mol, XLogP of 2.24, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-formyl-5-[[methyl(oxan-4-yl)amino]methyl]-2-morpholin-4-ylphenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 129297773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).