(3R)-3-[(3-bromoimidazo[1,2-a]pyridin-6-yl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylic acid

C18H23BrN4O4 — CID 175496962

IUPAC(3R)-3-[(3-bromoimidazo[1,2-a]pyridin-6-yl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylic acid
SMILESCC(C)(C)OC(=O)N(c1ccc2ncc(Br)n2c1)[C@@H]1CCCN(C(=O)O)C1
InChIInChI=1S/C18H23BrN4O4/c1-18(2,3)27-17(26)23(12-5-4-8-21(10-12)16(24)25)13-6-7-15-20-9-14(19)22(15)11-13/h6-7,9,11-12H,4-5,8,10H2,1-3H3,(H,24,25)/t12-/m1/s1
InChIKeyDWRBOBLNRTUEOX-GFCCVEGCSA-N
MW439.31 g/mol
LogP3.98
Rot. Bonds2

About (3R)-3-[(3-bromoimidazo[1,2-a]pyridin-6-yl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylic acid

(3R)-3-[(3-bromoimidazo[1,2-a]pyridin-6-yl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylic acid (PubChem CID 175496962) has the molecular formula C18H23BrN4O4 and a molecular weight of 439.31 g/mol. Its IUPAC name is (3R)-3-[(3-bromoimidazo[1,2-a]pyridin-6-yl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name(3R)-3-[(3-bromoimidazo[1,2-a]pyridin-6-yl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylic acid
PubChem CID175496962
Molecular FormulaC18H23BrN4O4
Molecular Weight439.31 g/mol
Exact Mass438.09
IUPAC Name(3R)-3-[(3-bromoimidazo[1,2-a]pyridin-6-yl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylic acid
SMILESCC(C)(C)OC(=O)N(c1ccc2ncc(Br)n2c1)[C@@H]1CCCN(C(=O)O)C1
InChIInChI=1S/C18H23BrN4O4/c1-18(2,3)27-17(26)23(12-5-4-8-21(10-12)16(24)25)13-6-7-15-20-9-14(19)22(15)11-13/h6-7,9,11-12H,4-5,8,10H2,1-3H3,(H,24,25)/t12-/m1/s1
InChIKeyDWRBOBLNRTUEOX-GFCCVEGCSA-N
XLogP3.98
TPSA87.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.31
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R)-3-[(3-bromoimidazo[1,2-a]pyridin-6-yl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

(3R)-3-[4-benzylsulfanyl-3-methoxy-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]piperidine-1-carboxylic acid
CID 174219444
3-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylic acid
CID 67045293
tert-butyl N-[1-(5-bromopyrimidin-2-yl)piperidin-3-yl]-N-methylcarbamate
CID 140914655
tert-butyl N-[(3S)-1-(2-chloropyridine-3-carbonyl)piperidin-3-yl]-N-methylcarbamate
CID 97166802
tert-butyl 3-[(5-bromo-2-pyridinyl)-methylamino]pyrrolidine-1-carboxylate
CID 71647100
tert-butyl (3R)-3-[methyl-(5-nitro-2-pyridinyl)amino]piperidine-1-carboxylate
CID 71646612
tert-butyl N-methyl-N-[(3R)-1-[(5S)-4,5,6,7-tetrahydro-2H-benzotriazole-5-carbonyl]piperidin-3-yl]carbamate
CID 124744274
tert-butyl N-cyclobutyl-N-[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]carbamate
CID 102541179
tert-butyl N-methyl-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]carbamate
CID 97166902
tert-butyl (3S)-3-[(4,6-dimethylpyrimidin-2-yl)-methylamino]piperidine-1-carboxylate
CID 71646723
tert-butyl N-[(3S)-1-[(6-methoxy-2-pyridinyl)methylcarbamoyl]piperidin-3-yl]-N-methylcarbamate
CID 99800104
tert-butyl 3-[methyl-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]amino]piperidine-1-carboxylate
CID 71646934

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(3-bromoimidazo[1,2-a]pyridin-6-yl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylic acid?
The IUPAC name of (3R)-3-[(3-bromoimidazo[1,2-a]pyridin-6-yl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylic acid (CID 175496962) is (3R)-3-[(3-bromoimidazo[1,2-a]pyridin-6-yl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylic acid.
What is the SMILES notation for (3R)-3-[(3-bromoimidazo[1,2-a]pyridin-6-yl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylic acid?
The canonical SMILES for (3R)-3-[(3-bromoimidazo[1,2-a]pyridin-6-yl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylic acid is CC(C)(C)OC(=O)N(c1ccc2ncc(Br)n2c1)[C@@H]1CCCN(C(=O)O)C1.
What is the InChIKey of (3R)-3-[(3-bromoimidazo[1,2-a]pyridin-6-yl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylic acid?
The InChIKey is DWRBOBLNRTUEOX-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H23BrN4O4/c1-18(2,3)27-17(26)23(12-5-4-8-21(10-12)16(24)25)13-6-7-15-20-9-14(19)22(15)11-13/h6-7,9,11-12H,4-5,8,10H2,1-3H3,(H,24,25)/t12-/m1/s1.
What are the key properties of (3R)-3-[(3-bromoimidazo[1,2-a]pyridin-6-yl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylic acid?
(3R)-3-[(3-bromoimidazo[1,2-a]pyridin-6-yl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylic acid has a molecular weight of 439.31 g/mol, XLogP of 3.98, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(3-bromoimidazo[1,2-a]pyridin-6-yl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylic acid is sourced from PubChem (CID 175496962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).