(3R,4R)-3-(cyclopropylmethyl)-4-hydroxy-1-(1H-pyrazolo[5,4-b]pyridine-6-carbonyl)piperidine-3-carboxylic acid

C17H20N4O4 — CID 165423122

IUPAC(3R,4R)-3-(cyclopropylmethyl)-4-hydroxy-1-(1H-pyrazolo[5,4-b]pyridine-6-carbonyl)piperidine-3-carboxylic acid
SMILESO=C(c1ccc2cn[nH]c2n1)N1CC[C@@H](O)[C@](CC2CC2)(C(=O)O)C1
InChIInChI=1S/C17H20N4O4/c22-13-5-6-21(9-17(13,16(24)25)7-10-1-2-10)15(23)12-4-3-11-8-18-20-14(11)19-12/h3-4,8,10,13,22H,1-2,5-7,9H2,(H,24,25)(H,18,19,20)/t13-,17-/m1/s1
InChIKeyLKOMHULFXIELNY-CXAGYDPISA-N
MW344.37 g/mol
LogP1.04
Rot. Bonds4

About (3R,4R)-3-(cyclopropylmethyl)-4-hydroxy-1-(1H-pyrazolo[5,4-b]pyridine-6-carbonyl)piperidine-3-carboxylic acid

(3R,4R)-3-(cyclopropylmethyl)-4-hydroxy-1-(1H-pyrazolo[5,4-b]pyridine-6-carbonyl)piperidine-3-carboxylic acid (PubChem CID 165423122) has the molecular formula C17H20N4O4 and a molecular weight of 344.37 g/mol. Its IUPAC name is (3R,4R)-3-(cyclopropylmethyl)-4-hydroxy-1-(1H-pyrazolo[5,4-b]pyridine-6-carbonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R,4R)-3-(cyclopropylmethyl)-4-hydroxy-1-(1H-pyrazolo[5,4-b]pyridine-6-carbonyl)piperidine-3-carboxylic acid
PubChem CID165423122
Molecular FormulaC17H20N4O4
Molecular Weight344.37 g/mol
Exact Mass344.15
IUPAC Name(3R,4R)-3-(cyclopropylmethyl)-4-hydroxy-1-(1H-pyrazolo[5,4-b]pyridine-6-carbonyl)piperidine-3-carboxylic acid
SMILESO=C(c1ccc2cn[nH]c2n1)N1CC[C@@H](O)[C@](CC2CC2)(C(=O)O)C1
InChIInChI=1S/C17H20N4O4/c22-13-5-6-21(9-17(13,16(24)25)7-10-1-2-10)15(23)12-4-3-11-8-18-20-14(11)19-12/h3-4,8,10,13,22H,1-2,5-7,9H2,(H,24,25)(H,18,19,20)/t13-,17-/m1/s1
InChIKeyLKOMHULFXIELNY-CXAGYDPISA-N
XLogP1.04
TPSA119.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-(cyclopropylmethyl)-4-hydroxy-1-(1H-pyrazolo[5,4-b]pyridine-6-carbonyl)piperidine-3-carboxylic acid?
The IUPAC name of (3R,4R)-3-(cyclopropylmethyl)-4-hydroxy-1-(1H-pyrazolo[5,4-b]pyridine-6-carbonyl)piperidine-3-carboxylic acid (CID 165423122) is (3R,4R)-3-(cyclopropylmethyl)-4-hydroxy-1-(1H-pyrazolo[5,4-b]pyridine-6-carbonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3R,4R)-3-(cyclopropylmethyl)-4-hydroxy-1-(1H-pyrazolo[5,4-b]pyridine-6-carbonyl)piperidine-3-carboxylic acid?
The canonical SMILES for (3R,4R)-3-(cyclopropylmethyl)-4-hydroxy-1-(1H-pyrazolo[5,4-b]pyridine-6-carbonyl)piperidine-3-carboxylic acid is O=C(c1ccc2cn[nH]c2n1)N1CC[C@@H](O)[C@](CC2CC2)(C(=O)O)C1.
What is the InChIKey of (3R,4R)-3-(cyclopropylmethyl)-4-hydroxy-1-(1H-pyrazolo[5,4-b]pyridine-6-carbonyl)piperidine-3-carboxylic acid?
The InChIKey is LKOMHULFXIELNY-CXAGYDPISA-N. The full InChI is InChI=1S/C17H20N4O4/c22-13-5-6-21(9-17(13,16(24)25)7-10-1-2-10)15(23)12-4-3-11-8-18-20-14(11)19-12/h3-4,8,10,13,22H,1-2,5-7,9H2,(H,24,25)(H,18,19,20)/t13-,17-/m1/s1.
What are the key properties of (3R,4R)-3-(cyclopropylmethyl)-4-hydroxy-1-(1H-pyrazolo[5,4-b]pyridine-6-carbonyl)piperidine-3-carboxylic acid?
(3R,4R)-3-(cyclopropylmethyl)-4-hydroxy-1-(1H-pyrazolo[5,4-b]pyridine-6-carbonyl)piperidine-3-carboxylic acid has a molecular weight of 344.37 g/mol, XLogP of 1.04, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-(cyclopropylmethyl)-4-hydroxy-1-(1H-pyrazolo[5,4-b]pyridine-6-carbonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 165423122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).