(3S)-3-[(1-pyridin-2-ylindazol-3-yl)oxymethyl]piperidine-1-carboxylic acid

C19H20N4O3 — CID 150887676

IUPAC(3S)-3-[(1-pyridin-2-ylindazol-3-yl)oxymethyl]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC[C@H](COc2nn(-c3ccccn3)c3ccccc23)C1
InChIInChI=1S/C19H20N4O3/c24-19(25)22-11-5-6-14(12-22)13-26-18-15-7-1-2-8-16(15)23(21-18)17-9-3-4-10-20-17/h1-4,7-10,14H,5-6,11-13H2,(H,24,25)/t14-/m0/s1
InChIKeyKXJFHXKXQPCEDK-AWEZNQCLSA-N
MW352.39 g/mol
LogP3.19
Rot. Bonds4

About (3S)-3-[(1-pyridin-2-ylindazol-3-yl)oxymethyl]piperidine-1-carboxylic acid

(3S)-3-[(1-pyridin-2-ylindazol-3-yl)oxymethyl]piperidine-1-carboxylic acid (PubChem CID 150887676) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is (3S)-3-[(1-pyridin-2-ylindazol-3-yl)oxymethyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name(3S)-3-[(1-pyridin-2-ylindazol-3-yl)oxymethyl]piperidine-1-carboxylic acid
PubChem CID150887676
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name(3S)-3-[(1-pyridin-2-ylindazol-3-yl)oxymethyl]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC[C@H](COc2nn(-c3ccccn3)c3ccccc23)C1
InChIInChI=1S/C19H20N4O3/c24-19(25)22-11-5-6-14(12-22)13-26-18-15-7-1-2-8-16(15)23(21-18)17-9-3-4-10-20-17/h1-4,7-10,14H,5-6,11-13H2,(H,24,25)/t14-/m0/s1
InChIKeyKXJFHXKXQPCEDK-AWEZNQCLSA-N
XLogP3.19
TPSA80.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-3-[(2-bromo-3-pyridinyl)oxymethyl]piperidine-1-carboxylic acid
CID 143633716
[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-phenylmethanone
CID 163351634
[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-(2-phenyltriazol-4-yl)methanone
CID 163353514
3-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxymethyl]piperidine-1-carboxylic acid
CID 175335250
N-tert-butyl-3-[(3-chloro-2-pyridinyl)oxymethyl]piperidine-1-carboxamide
CID 163353325
[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-(3,3-difluorocyclobutyl)methanone
CID 163353270
3-amino-1-[3-(phenoxymethyl)piperidin-1-yl]propan-1-one
CID 102560007
N,5-dimethyl-N-[[1-(3-methylbut-3-enoyl)piperidin-3-yl]methyl]-1-pyridin-2-ylpyrazole-3-carboxamide
CID 167792698
tert-butyl 3-[[(5-ethyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]methyl]piperidine-1-carboxylate
CID 60618230
3-[(3-chloro-2-pyridinyl)oxymethyl]-N-(2-fluorophenyl)piperidine-1-carboxamide
CID 163353441
N-propan-2-yl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidine-1-carboxamide
CID 138988299
3-(1-acetylpiperidin-3-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 72912225

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(1-pyridin-2-ylindazol-3-yl)oxymethyl]piperidine-1-carboxylic acid?
The IUPAC name of (3S)-3-[(1-pyridin-2-ylindazol-3-yl)oxymethyl]piperidine-1-carboxylic acid (CID 150887676) is (3S)-3-[(1-pyridin-2-ylindazol-3-yl)oxymethyl]piperidine-1-carboxylic acid.
What is the SMILES notation for (3S)-3-[(1-pyridin-2-ylindazol-3-yl)oxymethyl]piperidine-1-carboxylic acid?
The canonical SMILES for (3S)-3-[(1-pyridin-2-ylindazol-3-yl)oxymethyl]piperidine-1-carboxylic acid is O=C(O)N1CCC[C@H](COc2nn(-c3ccccn3)c3ccccc23)C1.
What is the InChIKey of (3S)-3-[(1-pyridin-2-ylindazol-3-yl)oxymethyl]piperidine-1-carboxylic acid?
The InChIKey is KXJFHXKXQPCEDK-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H20N4O3/c24-19(25)22-11-5-6-14(12-22)13-26-18-15-7-1-2-8-16(15)23(21-18)17-9-3-4-10-20-17/h1-4,7-10,14H,5-6,11-13H2,(H,24,25)/t14-/m0/s1.
What are the key properties of (3S)-3-[(1-pyridin-2-ylindazol-3-yl)oxymethyl]piperidine-1-carboxylic acid?
(3S)-3-[(1-pyridin-2-ylindazol-3-yl)oxymethyl]piperidine-1-carboxylic acid has a molecular weight of 352.39 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(1-pyridin-2-ylindazol-3-yl)oxymethyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 150887676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).