N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-3-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)propanamide

C26H28N6O3 — CID 135623598

IUPACN-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-3-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)propanamide
SMILESCN(Cc1ccccc1N1CCOCC1)C(=O)CCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C26H28N6O3/c1-30(18-19-7-5-6-10-22(19)31-13-15-35-16-14-31)24(33)12-11-23-28-25-21(26(34)29-23)17-27-32(25)20-8-3-2-4-9-20/h2-10,17H,11-16,18H2,1H3,(H,28,29,34)
InChIKeyDTFBWDFWSPVWGB-UHFFFAOYSA-N
MW472.55 g/mol
LogP2.54
Rot. Bonds7

About N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-3-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)propanamide

N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-3-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)propanamide (PubChem CID 135623598) has the molecular formula C26H28N6O3 and a molecular weight of 472.55 g/mol. Its IUPAC name is N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-3-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)propanamide.

Molecular Properties

Compound NameN-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-3-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)propanamide
PubChem CID135623598
Molecular FormulaC26H28N6O3
Molecular Weight472.55 g/mol
Exact Mass472.22
IUPAC NameN-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-3-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)propanamide
SMILESCN(Cc1ccccc1N1CCOCC1)C(=O)CCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C26H28N6O3/c1-30(18-19-7-5-6-10-22(19)31-13-15-35-16-14-31)24(33)12-11-23-28-25-21(26(34)29-23)17-27-32(25)20-8-3-2-4-9-20/h2-10,17H,11-16,18H2,1H3,(H,28,29,34)
InChIKeyDTFBWDFWSPVWGB-UHFFFAOYSA-N
XLogP2.54
TPSA96.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.55
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-methyl-3-(4-oxo-3H-quinazolin-2-yl)-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide
CID 137287838
N-[2-(dimethylamino)-2-oxoethyl]-3-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)propanamide
CID 135733150
N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)propanamide
CID 135926182
N-[[1-(dimethylamino)cyclopropyl]methyl]-3-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)propanamide
CID 167987283
N-(1,3-benzodioxol-5-yl)-3-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)propanamide
CID 135616528
3-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)-N-phenylpropanamide
CID 135677117
3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]propanamide
CID 41447893
N-[3-(dimethylamino)propyl]-3-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)propanamide
CID 154799502
3-(1H-benzimidazol-2-yl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide
CID 43045408
2-(1,4-dioxo-3H-phthalazin-2-yl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]acetamide
CID 26959350
[(2R)-1-oxo-1-(propan-2-ylamino)propan-2-yl] 3-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)propanoate
CID 135739478
3-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 135881413

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-3-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)propanamide?
The IUPAC name of N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-3-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)propanamide (CID 135623598) is N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-3-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)propanamide.
What is the SMILES notation for N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-3-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)propanamide?
The canonical SMILES for N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-3-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)propanamide is CN(Cc1ccccc1N1CCOCC1)C(=O)CCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1.
What is the InChIKey of N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-3-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)propanamide?
The InChIKey is DTFBWDFWSPVWGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O3/c1-30(18-19-7-5-6-10-22(19)31-13-15-35-16-14-31)24(33)12-11-23-28-25-21(26(34)29-23)17-27-32(25)20-8-3-2-4-9-20/h2-10,17H,11-16,18H2,1H3,(H,28,29,34).
What are the key properties of N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-3-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)propanamide?
N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-3-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)propanamide has a molecular weight of 472.55 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-3-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)propanamide is sourced from PubChem (CID 135623598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).