N,N-bis(2-methylpropyl)-3-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)propanamide

C22H29N5O2 — CID 16882306

IUPACN,N-bis(2-methylpropyl)-3-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)propanamide
SMILESCC(C)CN(CC(C)C)C(=O)CCn1cnc2c(cnn2-c2ccccc2)c1=O
InChIInChI=1S/C22H29N5O2/c1-16(2)13-26(14-17(3)4)20(28)10-11-25-15-23-21-19(22(25)29)12-24-27(21)18-8-6-5-7-9-18/h5-9,12,15-17H,10-11,13-14H2,1-4H3
InChIKeyUIZIPAZGTZHCIX-UHFFFAOYSA-N
MW395.51 g/mol
LogP3.11
Rot. Bonds8

About N,N-bis(2-methylpropyl)-3-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)propanamide

N,N-bis(2-methylpropyl)-3-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)propanamide (PubChem CID 16882306) has the molecular formula C22H29N5O2 and a molecular weight of 395.51 g/mol. Its IUPAC name is N,N-bis(2-methylpropyl)-3-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)propanamide.

Molecular Properties

Compound NameN,N-bis(2-methylpropyl)-3-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)propanamide
PubChem CID16882306
Molecular FormulaC22H29N5O2
Molecular Weight395.51 g/mol
Exact Mass395.23
IUPAC NameN,N-bis(2-methylpropyl)-3-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)propanamide
SMILESCC(C)CN(CC(C)C)C(=O)CCn1cnc2c(cnn2-c2ccccc2)c1=O
InChIInChI=1S/C22H29N5O2/c1-16(2)13-26(14-17(3)4)20(28)10-11-25-15-23-21-19(22(25)29)12-24-27(21)18-8-6-5-7-9-18/h5-9,12,15-17H,10-11,13-14H2,1-4H3
InChIKeyUIZIPAZGTZHCIX-UHFFFAOYSA-N
XLogP3.11
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)-N,N-di(propan-2-yl)acetamide
CID 7679888
N-benzyl-3-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-methylpropanamide
CID 16882698
5-(2-aminoethyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one;hydrochloride
CID 75366014
2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)-N,N-bis(prop-2-enyl)acetamide
CID 7679866
5-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 16882325
3-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)-N-(3-phenylpropyl)propanamide
CID 16882380
5-(2-hydroxy-3-propan-2-yloxypropyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 110884817
N-(1,2-oxazol-3-yl)-3-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)propanamide
CID 16882476
3-[1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-naphthalen-1-ylpropanamide
CID 16883207
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)propanamide
CID 16882448
3-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-phenylpropanamide
CID 16882781
2-[3-[1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanoylamino]benzamide
CID 16883274

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-methylpropyl)-3-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)propanamide?
The IUPAC name of N,N-bis(2-methylpropyl)-3-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)propanamide (CID 16882306) is N,N-bis(2-methylpropyl)-3-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)propanamide.
What is the SMILES notation for N,N-bis(2-methylpropyl)-3-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)propanamide?
The canonical SMILES for N,N-bis(2-methylpropyl)-3-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)propanamide is CC(C)CN(CC(C)C)C(=O)CCn1cnc2c(cnn2-c2ccccc2)c1=O.
What is the InChIKey of N,N-bis(2-methylpropyl)-3-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)propanamide?
The InChIKey is UIZIPAZGTZHCIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O2/c1-16(2)13-26(14-17(3)4)20(28)10-11-25-15-23-21-19(22(25)29)12-24-27(21)18-8-6-5-7-9-18/h5-9,12,15-17H,10-11,13-14H2,1-4H3.
What are the key properties of N,N-bis(2-methylpropyl)-3-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)propanamide?
N,N-bis(2-methylpropyl)-3-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)propanamide has a molecular weight of 395.51 g/mol, XLogP of 3.11, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-methylpropyl)-3-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)propanamide is sourced from PubChem (CID 16882306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).