4-[(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]-5-phenylpentanoic acid

C17H19N5O3 — CID 137168809

IUPAC4-[(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]-5-phenylpentanoic acid
SMILESCn1ncc2c(=O)[nH]c(NC(CCC(=O)O)Cc3ccccc3)nc21
InChIInChI=1S/C17H19N5O3/c1-22-15-13(10-18-22)16(25)21-17(20-15)19-12(7-8-14(23)24)9-11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3,(H,23,24)(H2,19,20,21,25)
InChIKeyZXHRGZMHBYVCPJ-UHFFFAOYSA-N
MW341.37 g/mol
LogP1.54
Rot. Bonds7

About 4-[(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]-5-phenylpentanoic acid

4-[(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]-5-phenylpentanoic acid (PubChem CID 137168809) has the molecular formula C17H19N5O3 and a molecular weight of 341.37 g/mol. Its IUPAC name is 4-[(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]-5-phenylpentanoic acid.

Molecular Properties

Compound Name4-[(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]-5-phenylpentanoic acid
PubChem CID137168809
Molecular FormulaC17H19N5O3
Molecular Weight341.37 g/mol
Exact Mass341.15
IUPAC Name4-[(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]-5-phenylpentanoic acid
SMILESCn1ncc2c(=O)[nH]c(NC(CCC(=O)O)Cc3ccccc3)nc21
InChIInChI=1S/C17H19N5O3/c1-22-15-13(10-18-22)16(25)21-17(20-15)19-12(7-8-14(23)24)9-11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3,(H,23,24)(H2,19,20,21,25)
InChIKeyZXHRGZMHBYVCPJ-UHFFFAOYSA-N
XLogP1.54
TPSA112.90 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]-5-phenylpentanoic acid with MolForge

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Related Compounds

2-[(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]hexanoic acid
CID 137061321
(2S,3S)-3-methyl-2-[(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]pentanoic acid
CID 137098072
1-tert-butyl-6-(1,2-diphenylethylamino)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137269837
4-[(1-methylpyrazolo[3,4-b]pyridin-4-yl)carbamoylamino]-5-phenylpentanoic acid
CID 122091996
6-benzyl-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 163926898
6-[[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]amino]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135993692
4-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-5-phenylpentanoic acid
CID 122064162
4-[2-(2-methylpyrazol-3-yl)propanoylamino]-5-phenylpentanoic acid
CID 122111365
1-methyl-6-[[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136580596
4-[(2-methylpyrimidin-4-yl)amino]-5-phenylpentanoic acid
CID 122064202
1-methyl-6-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135455617
1-methyl-6-[2-(pentan-3-ylamino)ethylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136551865

Frequently Asked Questions

What is the IUPAC name of 4-[(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]-5-phenylpentanoic acid?
The IUPAC name of 4-[(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]-5-phenylpentanoic acid (CID 137168809) is 4-[(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]-5-phenylpentanoic acid.
What is the SMILES notation for 4-[(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]-5-phenylpentanoic acid?
The canonical SMILES for 4-[(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]-5-phenylpentanoic acid is Cn1ncc2c(=O)[nH]c(NC(CCC(=O)O)Cc3ccccc3)nc21.
What is the InChIKey of 4-[(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]-5-phenylpentanoic acid?
The InChIKey is ZXHRGZMHBYVCPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3/c1-22-15-13(10-18-22)16(25)21-17(20-15)19-12(7-8-14(23)24)9-11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3,(H,23,24)(H2,19,20,21,25).
What are the key properties of 4-[(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]-5-phenylpentanoic acid?
4-[(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]-5-phenylpentanoic acid has a molecular weight of 341.37 g/mol, XLogP of 1.54, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]-5-phenylpentanoic acid is sourced from PubChem (CID 137168809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).