4-[(3S)-3-(3-amino-2H-pyrazolo[3,4-b]pyridin-6-yl)piperidin-1-yl]-4-oxobutanoic acid

C15H19N5O3 — CID 124964006

IUPAC4-[(3S)-3-(3-amino-2H-pyrazolo[3,4-b]pyridin-6-yl)piperidin-1-yl]-4-oxobutanoic acid
SMILESNc1[nH]nc2nc([C@H]3CCCN(C(=O)CCC(=O)O)C3)ccc12
InChIInChI=1S/C15H19N5O3/c16-14-10-3-4-11(17-15(10)19-18-14)9-2-1-7-20(8-9)12(21)5-6-13(22)23/h3-4,9H,1-2,5-8H2,(H,22,23)(H3,16,17,18,19)/t9-/m0/s1
InChIKeyHUISSAZFBQORKN-VIFPVBQESA-N
MW317.35 g/mol
LogP1.11
Rot. Bonds4

About 4-[(3S)-3-(3-amino-2H-pyrazolo[3,4-b]pyridin-6-yl)piperidin-1-yl]-4-oxobutanoic acid

4-[(3S)-3-(3-amino-2H-pyrazolo[3,4-b]pyridin-6-yl)piperidin-1-yl]-4-oxobutanoic acid (PubChem CID 124964006) has the molecular formula C15H19N5O3 and a molecular weight of 317.35 g/mol. Its IUPAC name is 4-[(3S)-3-(3-amino-2H-pyrazolo[3,4-b]pyridin-6-yl)piperidin-1-yl]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[(3S)-3-(3-amino-2H-pyrazolo[3,4-b]pyridin-6-yl)piperidin-1-yl]-4-oxobutanoic acid
PubChem CID124964006
Molecular FormulaC15H19N5O3
Molecular Weight317.35 g/mol
Exact Mass317.15
IUPAC Name4-[(3S)-3-(3-amino-2H-pyrazolo[3,4-b]pyridin-6-yl)piperidin-1-yl]-4-oxobutanoic acid
SMILESNc1[nH]nc2nc([C@H]3CCCN(C(=O)CCC(=O)O)C3)ccc12
InChIInChI=1S/C15H19N5O3/c16-14-10-3-4-11(17-15(10)19-18-14)9-2-1-7-20(8-9)12(21)5-6-13(22)23/h3-4,9H,1-2,5-8H2,(H,22,23)(H3,16,17,18,19)/t9-/m0/s1
InChIKeyHUISSAZFBQORKN-VIFPVBQESA-N
XLogP1.11
TPSA125.20 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[(3S)-3-(3-amino-2H-pyrazolo[3,4-b]pyridin-6-yl)piperidin-1-yl]-4-oxobutanoic acid with MolForge

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Related Compounds

[(3R)-3-(3-amino-2H-pyrazolo[3,4-b]pyridin-6-yl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 125017315
[(3S)-3-(3-amino-2H-pyrazolo[3,4-b]pyridin-6-yl)piperidin-1-yl]-thiophen-3-ylmethanone
CID 125018323
[(3S)-3-(3-amino-2H-pyrazolo[3,4-b]pyridin-6-yl)piperidin-1-yl]-(5-ethyl-1,2-oxazol-3-yl)methanone
CID 124972241
6-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine
CID 125020940
6-[(3S)-1-(benzenesulfonyl)piperidin-3-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine
CID 125027092
N-[2-[(3R)-3-(4-amino-2-phenylpyrido[2,3-d]pyrimidin-7-yl)piperidin-1-yl]-2-oxoethyl]acetamide
CID 92631024
1-[3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 110118699
1-[3-[3-amino-4-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]piperidin-1-yl]-2-cyclohexylethanone
CID 110264584
[(3S)-3-(4-amino-2-phenylpyrido[2,3-d]pyrimidin-7-yl)piperidin-1-yl]-cyclopentylmethanone
CID 92631019
3-(2-fluorophenyl)-1-[3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]propan-1-one
CID 110118717
4-[(3R)-3-methylpiperidin-1-yl]-4-oxobutanoic acid
CID 40543101
2-[(3R)-3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 124941129

Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-3-(3-amino-2H-pyrazolo[3,4-b]pyridin-6-yl)piperidin-1-yl]-4-oxobutanoic acid?
The IUPAC name of 4-[(3S)-3-(3-amino-2H-pyrazolo[3,4-b]pyridin-6-yl)piperidin-1-yl]-4-oxobutanoic acid (CID 124964006) is 4-[(3S)-3-(3-amino-2H-pyrazolo[3,4-b]pyridin-6-yl)piperidin-1-yl]-4-oxobutanoic acid.
What is the SMILES notation for 4-[(3S)-3-(3-amino-2H-pyrazolo[3,4-b]pyridin-6-yl)piperidin-1-yl]-4-oxobutanoic acid?
The canonical SMILES for 4-[(3S)-3-(3-amino-2H-pyrazolo[3,4-b]pyridin-6-yl)piperidin-1-yl]-4-oxobutanoic acid is Nc1[nH]nc2nc([C@H]3CCCN(C(=O)CCC(=O)O)C3)ccc12.
What is the InChIKey of 4-[(3S)-3-(3-amino-2H-pyrazolo[3,4-b]pyridin-6-yl)piperidin-1-yl]-4-oxobutanoic acid?
The InChIKey is HUISSAZFBQORKN-VIFPVBQESA-N. The full InChI is InChI=1S/C15H19N5O3/c16-14-10-3-4-11(17-15(10)19-18-14)9-2-1-7-20(8-9)12(21)5-6-13(22)23/h3-4,9H,1-2,5-8H2,(H,22,23)(H3,16,17,18,19)/t9-/m0/s1.
What are the key properties of 4-[(3S)-3-(3-amino-2H-pyrazolo[3,4-b]pyridin-6-yl)piperidin-1-yl]-4-oxobutanoic acid?
4-[(3S)-3-(3-amino-2H-pyrazolo[3,4-b]pyridin-6-yl)piperidin-1-yl]-4-oxobutanoic acid has a molecular weight of 317.35 g/mol, XLogP of 1.11, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S)-3-(3-amino-2H-pyrazolo[3,4-b]pyridin-6-yl)piperidin-1-yl]-4-oxobutanoic acid is sourced from PubChem (CID 124964006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).