2-[4-(1,5-dimethylpyrazol-4-yl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetic acid

C14H15N5O2 — CID 19625306

IUPAC2-[4-(1,5-dimethylpyrazol-4-yl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetic acid
SMILESCc1nn(CC(=O)O)c2nccc(-c3cnn(C)c3C)c12
InChIInChI=1S/C14H15N5O2/c1-8-13-10(11-6-16-18(3)9(11)2)4-5-15-14(13)19(17-8)7-12(20)21/h4-6H,7H2,1-3H3,(H,20,21)
InChIKeyBMCPFAGYLCXOBV-UHFFFAOYSA-N
MW285.31 g/mol
LogP1.53
Rot. Bonds3

About 2-[4-(1,5-dimethylpyrazol-4-yl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetic acid

2-[4-(1,5-dimethylpyrazol-4-yl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetic acid (PubChem CID 19625306) has the molecular formula C14H15N5O2 and a molecular weight of 285.31 g/mol. Its IUPAC name is 2-[4-(1,5-dimethylpyrazol-4-yl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(1,5-dimethylpyrazol-4-yl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetic acid
PubChem CID19625306
Molecular FormulaC14H15N5O2
Molecular Weight285.31 g/mol
Exact Mass285.12
IUPAC Name2-[4-(1,5-dimethylpyrazol-4-yl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetic acid
SMILESCc1nn(CC(=O)O)c2nccc(-c3cnn(C)c3C)c12
InChIInChI=1S/C14H15N5O2/c1-8-13-10(11-6-16-18(3)9(11)2)4-5-15-14(13)19(17-8)7-12(20)21/h4-6H,7H2,1-3H3,(H,20,21)
InChIKeyBMCPFAGYLCXOBV-UHFFFAOYSA-N
XLogP1.53
TPSA85.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-[3-methyl-4-(4-methylphenyl)pyrazolo[3,4-b]pyridin-1-yl]acetamide
CID 19485315
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-[4-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetamide
CID 19484948
2-[4-[4-(difluoromethoxy)phenyl]-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetic acid
CID 19625315
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-[3-methyl-4-(3-methylphenyl)pyrazolo[3,4-b]pyridin-1-yl]acetamide
CID 19470347
N-[4-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]-2-[4-(4-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetamide
CID 19469862
2-[3-(1,5-dimethylpyrazol-4-yl)pyrazol-1-yl]acetic acid
CID 19621310
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-(3-methyl-4-phenylpyrazolo[3,4-b]pyridin-1-yl)acetamide
CID 19489194
2-(3-methyl-4-phenylpyrazolo[3,4-b]pyridin-1-yl)-N-[3-(5-methylpyrazol-1-yl)propyl]acetamide
CID 19489329
2-[3-methyl-4-(4-methylphenyl)pyrazolo[3,4-b]pyridin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 19485264
2-(3-methyl-4-phenylpyrazolo[3,4-b]pyridin-1-yl)-N-(4-methyl-2-pyridinyl)acetamide
CID 19487510
2-[(1,3-dimethylpyrazolo[3,4-b]pyridin-4-yl)-methylamino]acetic acid
CID 83841415
2-[4-[[(1,5-dimethylpyrazole-4-carbonyl)amino]methyl]-3,5-dimethylpyrazol-1-yl]acetic acid
CID 166376747

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,5-dimethylpyrazol-4-yl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetic acid?
The IUPAC name of 2-[4-(1,5-dimethylpyrazol-4-yl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetic acid (CID 19625306) is 2-[4-(1,5-dimethylpyrazol-4-yl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(1,5-dimethylpyrazol-4-yl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetic acid?
The canonical SMILES for 2-[4-(1,5-dimethylpyrazol-4-yl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetic acid is Cc1nn(CC(=O)O)c2nccc(-c3cnn(C)c3C)c12.
What is the InChIKey of 2-[4-(1,5-dimethylpyrazol-4-yl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetic acid?
The InChIKey is BMCPFAGYLCXOBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2/c1-8-13-10(11-6-16-18(3)9(11)2)4-5-15-14(13)19(17-8)7-12(20)21/h4-6H,7H2,1-3H3,(H,20,21).
What are the key properties of 2-[4-(1,5-dimethylpyrazol-4-yl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetic acid?
2-[4-(1,5-dimethylpyrazol-4-yl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetic acid has a molecular weight of 285.31 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,5-dimethylpyrazol-4-yl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetic acid is sourced from PubChem (CID 19625306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).