4-methyl-2-[(1-methylpyrazolo[3,4-b]pyridin-4-yl)amino]pentanoic acid

C13H18N4O2 — CID 122062498

IUPAC4-methyl-2-[(1-methylpyrazolo[3,4-b]pyridin-4-yl)amino]pentanoic acid
SMILESCC(C)CC(Nc1ccnc2c1cnn2C)C(=O)O
InChIInChI=1S/C13H18N4O2/c1-8(2)6-11(13(18)19)16-10-4-5-14-12-9(10)7-15-17(12)3/h4-5,7-8,11H,6H2,1-3H3,(H,14,16)(H,18,19)
InChIKeyRMEDZWPOAHQOMT-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.88
Rot. Bonds5

About 4-methyl-2-[(1-methylpyrazolo[3,4-b]pyridin-4-yl)amino]pentanoic acid

4-methyl-2-[(1-methylpyrazolo[3,4-b]pyridin-4-yl)amino]pentanoic acid (PubChem CID 122062498) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 4-methyl-2-[(1-methylpyrazolo[3,4-b]pyridin-4-yl)amino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-[(1-methylpyrazolo[3,4-b]pyridin-4-yl)amino]pentanoic acid
PubChem CID122062498
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name4-methyl-2-[(1-methylpyrazolo[3,4-b]pyridin-4-yl)amino]pentanoic acid
SMILESCC(C)CC(Nc1ccnc2c1cnn2C)C(=O)O
InChIInChI=1S/C13H18N4O2/c1-8(2)6-11(13(18)19)16-10-4-5-14-12-9(10)7-15-17(12)3/h4-5,7-8,11H,6H2,1-3H3,(H,14,16)(H,18,19)
InChIKeyRMEDZWPOAHQOMT-UHFFFAOYSA-N
XLogP1.88
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-4-methyl-2-(1,6-naphthyridin-4-ylamino)pentanoic acid
CID 120964573
(2S)-2-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)amino]-4-methylpentanoic acid
CID 122050089
(2S)-2-[(7-fluoroquinolin-4-yl)amino]-4-methylpentanoic acid
CID 122050192
2-[(3-chloro-2-methyl-4-pyridinyl)amino]-4-methylpentanoic acid
CID 122062515
(2S)-4-methyl-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pentanoic acid
CID 122050233
(2S)-2-[(5-fluoro-2-pyridinyl)amino]-4-methylpentanoic acid
CID 120964579
(2R)-4-methyl-2-[(2-methyl-4-pyridinyl)amino]pentanoic acid
CID 120964135
(2R)-2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propanoic acid
CID 93056813
4-methyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pentanoic acid
CID 64584680
4-methyl-2-[[4-(trifluoromethyl)-2-pyridinyl]amino]pentanoic acid
CID 66328053
4-[(1-methylpyrazolo[3,4-b]pyridin-4-yl)carbamoylamino]-5-phenylpentanoic acid
CID 122091996
2-[(1,5-dimethylpyrazol-4-yl)methylamino]-4-methylpentanoic acid
CID 79579169

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(1-methylpyrazolo[3,4-b]pyridin-4-yl)amino]pentanoic acid?
The IUPAC name of 4-methyl-2-[(1-methylpyrazolo[3,4-b]pyridin-4-yl)amino]pentanoic acid (CID 122062498) is 4-methyl-2-[(1-methylpyrazolo[3,4-b]pyridin-4-yl)amino]pentanoic acid.
What is the SMILES notation for 4-methyl-2-[(1-methylpyrazolo[3,4-b]pyridin-4-yl)amino]pentanoic acid?
The canonical SMILES for 4-methyl-2-[(1-methylpyrazolo[3,4-b]pyridin-4-yl)amino]pentanoic acid is CC(C)CC(Nc1ccnc2c1cnn2C)C(=O)O.
What is the InChIKey of 4-methyl-2-[(1-methylpyrazolo[3,4-b]pyridin-4-yl)amino]pentanoic acid?
The InChIKey is RMEDZWPOAHQOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-8(2)6-11(13(18)19)16-10-4-5-14-12-9(10)7-15-17(12)3/h4-5,7-8,11H,6H2,1-3H3,(H,14,16)(H,18,19).
What are the key properties of 4-methyl-2-[(1-methylpyrazolo[3,4-b]pyridin-4-yl)amino]pentanoic acid?
4-methyl-2-[(1-methylpyrazolo[3,4-b]pyridin-4-yl)amino]pentanoic acid has a molecular weight of 262.31 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(1-methylpyrazolo[3,4-b]pyridin-4-yl)amino]pentanoic acid is sourced from PubChem (CID 122062498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).