N-[3-[(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]phenyl]-2-pyrazol-1-ylpropanamide

C23H20N8O2 — CID 137258317

IUPACN-[3-[(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]phenyl]-2-pyrazol-1-ylpropanamide
SMILESCC(C(=O)Nc1cccc(Nc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)c1)n1cccn1
InChIInChI=1S/C23H20N8O2/c1-15(30-12-6-11-24-30)21(32)26-16-7-5-8-17(13-16)27-23-28-20-19(22(33)29-23)14-25-31(20)18-9-3-2-4-10-18/h2-15H,1H3,(H,26,32)(H2,27,28,29,33)
InChIKeySPRXBVXZNSDEAI-UHFFFAOYSA-N
MW440.47 g/mol
LogP3.25
Rot. Bonds6

About N-[3-[(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]phenyl]-2-pyrazol-1-ylpropanamide

N-[3-[(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]phenyl]-2-pyrazol-1-ylpropanamide (PubChem CID 137258317) has the molecular formula C23H20N8O2 and a molecular weight of 440.47 g/mol. Its IUPAC name is N-[3-[(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]phenyl]-2-pyrazol-1-ylpropanamide.

Molecular Properties

Compound NameN-[3-[(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]phenyl]-2-pyrazol-1-ylpropanamide
PubChem CID137258317
Molecular FormulaC23H20N8O2
Molecular Weight440.47 g/mol
Exact Mass440.17
IUPAC NameN-[3-[(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]phenyl]-2-pyrazol-1-ylpropanamide
SMILESCC(C(=O)Nc1cccc(Nc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)c1)n1cccn1
InChIInChI=1S/C23H20N8O2/c1-15(30-12-6-11-24-30)21(32)26-16-7-5-8-17(13-16)27-23-28-20-19(22(33)29-23)14-25-31(20)18-9-3-2-4-10-18/h2-15H,1H3,(H,26,32)(H2,27,28,29,33)
InChIKeySPRXBVXZNSDEAI-UHFFFAOYSA-N
XLogP3.25
TPSA122.52 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.47
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

N-(3-acetamidophenyl)-2-pyrazol-1-ylpropanamide
CID 134060380
N-phenyl-2-pyrazol-1-ylpropanamide
CID 42949018
N-[3-[6-[4-(2-hydroxyethyl)anilino]-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl]phenyl]acetamide
CID 136558577
1-phenyl-6-[3-(2,2,2-trifluoroethoxy)anilino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137258316
2-[(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]propanamide
CID 135469376
N-[2-oxo-2-[3-(2-pyrazol-1-ylpropanoylamino)anilino]ethyl]benzamide
CID 46468407
6-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137269912
5-methyl-1-(6-oxo-1H-pyridazin-3-yl)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]pyrazole-4-carboxamide
CID 146088618
N-[3-[[(E)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enoyl]amino]phenyl]-2-pyrazol-1-ylpropanamide
CID 46440687
6-[4-(4-ethylpiperazin-1-yl)anilino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 167968460
2-methyl-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide
CID 42958661
N-(4-bromophenyl)-2-[(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]propanamide
CID 135939854

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]phenyl]-2-pyrazol-1-ylpropanamide?
The IUPAC name of N-[3-[(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]phenyl]-2-pyrazol-1-ylpropanamide (CID 137258317) is N-[3-[(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]phenyl]-2-pyrazol-1-ylpropanamide.
What is the SMILES notation for N-[3-[(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]phenyl]-2-pyrazol-1-ylpropanamide?
The canonical SMILES for N-[3-[(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]phenyl]-2-pyrazol-1-ylpropanamide is CC(C(=O)Nc1cccc(Nc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)c1)n1cccn1.
What is the InChIKey of N-[3-[(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]phenyl]-2-pyrazol-1-ylpropanamide?
The InChIKey is SPRXBVXZNSDEAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N8O2/c1-15(30-12-6-11-24-30)21(32)26-16-7-5-8-17(13-16)27-23-28-20-19(22(33)29-23)14-25-31(20)18-9-3-2-4-10-18/h2-15H,1H3,(H,26,32)(H2,27,28,29,33).
What are the key properties of N-[3-[(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]phenyl]-2-pyrazol-1-ylpropanamide?
N-[3-[(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]phenyl]-2-pyrazol-1-ylpropanamide has a molecular weight of 440.47 g/mol, XLogP of 3.25, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]phenyl]-2-pyrazol-1-ylpropanamide is sourced from PubChem (CID 137258317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).