(3R)-3-[[6-(6-methoxyimidazo[4,5-c]pyridin-1-yl)pyrazin-2-yl]amino]piperidine-1-carboxylic acid

C17H19N7O3 — CID 68557830

IUPAC(3R)-3-[[6-(6-methoxyimidazo[4,5-c]pyridin-1-yl)pyrazin-2-yl]amino]piperidine-1-carboxylic acid
SMILESCOc1cc2c(cn1)ncn2-c1cncc(N[C@@H]2CCCN(C(=O)O)C2)n1
InChIInChI=1S/C17H19N7O3/c1-27-16-5-13-12(6-19-16)20-10-24(13)15-8-18-7-14(22-15)21-11-3-2-4-23(9-11)17(25)26/h5-8,10-11H,2-4,9H2,1H3,(H,21,22)(H,25,26)/t11-/m1/s1
InChIKeyUCSHXKMTBUTARQ-LLVKDONJSA-N
MW369.39 g/mol
LogP1.77
Rot. Bonds4

About (3R)-3-[[6-(6-methoxyimidazo[4,5-c]pyridin-1-yl)pyrazin-2-yl]amino]piperidine-1-carboxylic acid

(3R)-3-[[6-(6-methoxyimidazo[4,5-c]pyridin-1-yl)pyrazin-2-yl]amino]piperidine-1-carboxylic acid (PubChem CID 68557830) has the molecular formula C17H19N7O3 and a molecular weight of 369.39 g/mol. Its IUPAC name is (3R)-3-[[6-(6-methoxyimidazo[4,5-c]pyridin-1-yl)pyrazin-2-yl]amino]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name(3R)-3-[[6-(6-methoxyimidazo[4,5-c]pyridin-1-yl)pyrazin-2-yl]amino]piperidine-1-carboxylic acid
PubChem CID68557830
Molecular FormulaC17H19N7O3
Molecular Weight369.39 g/mol
Exact Mass369.15
IUPAC Name(3R)-3-[[6-(6-methoxyimidazo[4,5-c]pyridin-1-yl)pyrazin-2-yl]amino]piperidine-1-carboxylic acid
SMILESCOc1cc2c(cn1)ncn2-c1cncc(N[C@@H]2CCCN(C(=O)O)C2)n1
InChIInChI=1S/C17H19N7O3/c1-27-16-5-13-12(6-19-16)20-10-24(13)15-8-18-7-14(22-15)21-11-3-2-4-23(9-11)17(25)26/h5-8,10-11H,2-4,9H2,1H3,(H,21,22)(H,25,26)/t11-/m1/s1
InChIKeyUCSHXKMTBUTARQ-LLVKDONJSA-N
XLogP1.77
TPSA118.29 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.39
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (3R)-3-[[6-(6-methoxyimidazo[4,5-c]pyridin-1-yl)pyrazin-2-yl]amino]piperidine-1-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl (3R)-3-[[6-(6-methoxyimidazo[4,5-c]pyridin-1-yl)pyrazin-2-yl]amino]piperidine-1-carboxylate
CID 58303617
tert-butyl (3R)-3-[[6-(6-methoxyimidazo[4,5-c]pyridin-3-yl)pyrazin-2-yl]amino]piperidine-1-carboxylate
CID 58303458
tert-butyl (3R)-3-[[6-(6-chloroimidazo[4,5-c]pyridin-3-yl)pyrazin-2-yl]amino]piperidine-1-carboxylate;2-tert-butyl-3-[[6-(6-chloroimidazo[4,5-c]pyridin-1-yl)pyrazin-2-yl]amino]piperidine-1-carboxylic acid
CID 87100145
6-(6-ethoxyimidazo[4,5-c]pyridin-3-yl)-N-piperidin-3-ylpyrazin-2-amine
CID 77160781
N-cyclopentyl-6-[6-(cyclopropylmethoxy)benzimidazol-1-yl]pyrazin-2-amine
CID 58303431
6-(5-ethoxybenzimidazol-1-yl)-N-[(3R)-piperidin-3-yl]pyrazin-2-amine
CID 58303307
3-[[1-[(4-methoxyphenyl)methyl]indazol-5-yl]amino]piperidine-1-carboxylic acid
CID 66716346
methyl 6-[(1-methylpiperidin-3-yl)amino]pyrazine-2-carboxylate
CID 66455915
3-[(2-chloro-5-methylpyrimidin-4-yl)amino]piperidine-1-carboxylic acid
CID 89401167
3-[(6-bromoquinazolin-2-yl)amino]piperidine-1-carboxylic acid
CID 155391404
3-[[6-chloro-4-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]amino]piperidine-1-carboxylic acid
CID 156562925
cyclopentyl-[3-[(6-ethoxypyrazin-2-yl)amino]pyrrolidin-1-yl]methanone
CID 133375004

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[[6-(6-methoxyimidazo[4,5-c]pyridin-1-yl)pyrazin-2-yl]amino]piperidine-1-carboxylic acid?
The IUPAC name of (3R)-3-[[6-(6-methoxyimidazo[4,5-c]pyridin-1-yl)pyrazin-2-yl]amino]piperidine-1-carboxylic acid (CID 68557830) is (3R)-3-[[6-(6-methoxyimidazo[4,5-c]pyridin-1-yl)pyrazin-2-yl]amino]piperidine-1-carboxylic acid.
What is the SMILES notation for (3R)-3-[[6-(6-methoxyimidazo[4,5-c]pyridin-1-yl)pyrazin-2-yl]amino]piperidine-1-carboxylic acid?
The canonical SMILES for (3R)-3-[[6-(6-methoxyimidazo[4,5-c]pyridin-1-yl)pyrazin-2-yl]amino]piperidine-1-carboxylic acid is COc1cc2c(cn1)ncn2-c1cncc(N[C@@H]2CCCN(C(=O)O)C2)n1.
What is the InChIKey of (3R)-3-[[6-(6-methoxyimidazo[4,5-c]pyridin-1-yl)pyrazin-2-yl]amino]piperidine-1-carboxylic acid?
The InChIKey is UCSHXKMTBUTARQ-LLVKDONJSA-N. The full InChI is InChI=1S/C17H19N7O3/c1-27-16-5-13-12(6-19-16)20-10-24(13)15-8-18-7-14(22-15)21-11-3-2-4-23(9-11)17(25)26/h5-8,10-11H,2-4,9H2,1H3,(H,21,22)(H,25,26)/t11-/m1/s1.
What are the key properties of (3R)-3-[[6-(6-methoxyimidazo[4,5-c]pyridin-1-yl)pyrazin-2-yl]amino]piperidine-1-carboxylic acid?
(3R)-3-[[6-(6-methoxyimidazo[4,5-c]pyridin-1-yl)pyrazin-2-yl]amino]piperidine-1-carboxylic acid has a molecular weight of 369.39 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[[6-(6-methoxyimidazo[4,5-c]pyridin-1-yl)pyrazin-2-yl]amino]piperidine-1-carboxylic acid is sourced from PubChem (CID 68557830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).