2-[cyclopropyl-(1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]acetic acid

C15H18N4O3 — CID 119194915

IUPAC2-[cyclopropyl-(1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]acetic acid
SMILESCC(C)n1ncc2cc(C(=O)N(CC(=O)O)C3CC3)cnc21
InChIInChI=1S/C15H18N4O3/c1-9(2)19-14-10(7-17-19)5-11(6-16-14)15(22)18(8-13(20)21)12-3-4-12/h5-7,9,12H,3-4,8H2,1-2H3,(H,20,21)
InChIKeyJZVROADYXDNYJA-UHFFFAOYSA-N
MW302.33 g/mol
LogP1.70
Rot. Bonds5

About 2-[cyclopropyl-(1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]acetic acid

2-[cyclopropyl-(1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]acetic acid (PubChem CID 119194915) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is 2-[cyclopropyl-(1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-(1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]acetic acid
PubChem CID119194915
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC Name2-[cyclopropyl-(1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]acetic acid
SMILESCC(C)n1ncc2cc(C(=O)N(CC(=O)O)C3CC3)cnc21
InChIInChI=1S/C15H18N4O3/c1-9(2)19-14-10(7-17-19)5-11(6-16-14)15(22)18(8-13(20)21)12-3-4-12/h5-7,9,12H,3-4,8H2,1-2H3,(H,20,21)
InChIKeyJZVROADYXDNYJA-UHFFFAOYSA-N
XLogP1.70
TPSA88.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[cyclopropyl-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]acetic acid
CID 120517676
cis-(1R,3S)-3-[(1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120677416
N-[(4-methoxyphenyl)methyl]-N-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 24641346
N-(5-methylhexan-2-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 16581530
N-methyl-1-propan-2-yl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 51112770
N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 51948677
N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 120944386
ethyl 4-(1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)piperazine-1-carboxylate
CID 18132052
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 43055211
2-[4-[(1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]oxan-4-yl]acetic acid
CID 119215079
2-[cyclopropyl-(5-hydroxypyridine-3-carbonyl)amino]acetic acid
CID 63852185
(3-phenylpyrrolidin-1-yl)-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone
CID 146124235

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-(1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-(1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]acetic acid (CID 119194915) is 2-[cyclopropyl-(1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-(1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-(1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]acetic acid is CC(C)n1ncc2cc(C(=O)N(CC(=O)O)C3CC3)cnc21.
What is the InChIKey of 2-[cyclopropyl-(1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]acetic acid?
The InChIKey is JZVROADYXDNYJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3/c1-9(2)19-14-10(7-17-19)5-11(6-16-14)15(22)18(8-13(20)21)12-3-4-12/h5-7,9,12H,3-4,8H2,1-2H3,(H,20,21).
What are the key properties of 2-[cyclopropyl-(1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]acetic acid?
2-[cyclopropyl-(1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]acetic acid has a molecular weight of 302.33 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-(1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]acetic acid is sourced from PubChem (CID 119194915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).