tert-butyl 4-[(8-bromoimidazo[1,2-a]pyridine-2-carbonyl)amino]-1H-pyrazole-5-carboxylate

C16H16BrN5O3 — CID 166349929

IUPACtert-butyl 4-[(8-bromoimidazo[1,2-a]pyridine-2-carbonyl)amino]-1H-pyrazole-5-carboxylate
SMILESCC(C)(C)OC(=O)c1[nH]ncc1NC(=O)c1cn2cccc(Br)c2n1
InChIInChI=1S/C16H16BrN5O3/c1-16(2,3)25-15(24)12-10(7-18-21-12)20-14(23)11-8-22-6-4-5-9(17)13(22)19-11/h4-8H,1-3H3,(H,18,21)(H,20,23)
InChIKeyJGYPGOJWEJTPSK-UHFFFAOYSA-N
MW406.24 g/mol
LogP3.03
Rot. Bonds3

About tert-butyl 4-[(8-bromoimidazo[1,2-a]pyridine-2-carbonyl)amino]-1H-pyrazole-5-carboxylate

tert-butyl 4-[(8-bromoimidazo[1,2-a]pyridine-2-carbonyl)amino]-1H-pyrazole-5-carboxylate (PubChem CID 166349929) has the molecular formula C16H16BrN5O3 and a molecular weight of 406.24 g/mol. Its IUPAC name is tert-butyl 4-[(8-bromoimidazo[1,2-a]pyridine-2-carbonyl)amino]-1H-pyrazole-5-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(8-bromoimidazo[1,2-a]pyridine-2-carbonyl)amino]-1H-pyrazole-5-carboxylate
PubChem CID166349929
Molecular FormulaC16H16BrN5O3
Molecular Weight406.24 g/mol
Exact Mass405.04
IUPAC Nametert-butyl 4-[(8-bromoimidazo[1,2-a]pyridine-2-carbonyl)amino]-1H-pyrazole-5-carboxylate
SMILESCC(C)(C)OC(=O)c1[nH]ncc1NC(=O)c1cn2cccc(Br)c2n1
InChIInChI=1S/C16H16BrN5O3/c1-16(2,3)25-15(24)12-10(7-18-21-12)20-14(23)11-8-22-6-4-5-9(17)13(22)19-11/h4-8H,1-3H3,(H,18,21)(H,20,23)
InChIKeyJGYPGOJWEJTPSK-UHFFFAOYSA-N
XLogP3.03
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.24
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze tert-butyl 4-[(8-bromoimidazo[1,2-a]pyridine-2-carbonyl)amino]-1H-pyrazole-5-carboxylate with MolForge

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Related Compounds

methyl 4-[(2-bromobenzoyl)amino]-1H-pyrazole-5-carboxylate
CID 146090075
ethyl 8-bromoimidazo[1,2-a]pyridine-2-carboxylate
CID 57360969
8-bromo-N-methoxy-N-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 58449887
tert-butyl 8-chloroimidazo[1,2-a]pyrazine-2-carboxylate
CID 133061951
methyl 4-[[1-(2,2-difluoroethyl)pyrazole-3-carbonyl]amino]-1H-pyrazole-5-carboxylate
CID 154862546
tert-butyl N-(6-bromo-1H-indazol-5-yl)carbamate
CID 118182563
tert-butyl 2-[[4-chloro-6-[[2-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]carbamoyl]pyridine-2-carbonyl]amino]benzoate
CID 101154818
tert-butyl 6-chloropyridine-2-carboxylate
CID 53217451
N-(2-bromophenyl)-1H-pyrazole-4-carboxamide
CID 43532862
tert-butyl 6-bromoimidazo[1,2-a]pyridine-2-carboxylate
CID 135394551
methyl 4-(3,3-dimethylbutanoylamino)-1H-pyrazole-5-carboxylate
CID 154947792
tert-butyl 3-[[4-[8-[(2-methylpropan-2-yl)oxycarbonylamino]imidazo[1,2-a]pyridin-2-yl]benzoyl]amino]propanoate
CID 19965394

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(8-bromoimidazo[1,2-a]pyridine-2-carbonyl)amino]-1H-pyrazole-5-carboxylate?
The IUPAC name of tert-butyl 4-[(8-bromoimidazo[1,2-a]pyridine-2-carbonyl)amino]-1H-pyrazole-5-carboxylate (CID 166349929) is tert-butyl 4-[(8-bromoimidazo[1,2-a]pyridine-2-carbonyl)amino]-1H-pyrazole-5-carboxylate.
What is the SMILES notation for tert-butyl 4-[(8-bromoimidazo[1,2-a]pyridine-2-carbonyl)amino]-1H-pyrazole-5-carboxylate?
The canonical SMILES for tert-butyl 4-[(8-bromoimidazo[1,2-a]pyridine-2-carbonyl)amino]-1H-pyrazole-5-carboxylate is CC(C)(C)OC(=O)c1[nH]ncc1NC(=O)c1cn2cccc(Br)c2n1.
What is the InChIKey of tert-butyl 4-[(8-bromoimidazo[1,2-a]pyridine-2-carbonyl)amino]-1H-pyrazole-5-carboxylate?
The InChIKey is JGYPGOJWEJTPSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN5O3/c1-16(2,3)25-15(24)12-10(7-18-21-12)20-14(23)11-8-22-6-4-5-9(17)13(22)19-11/h4-8H,1-3H3,(H,18,21)(H,20,23).
What are the key properties of tert-butyl 4-[(8-bromoimidazo[1,2-a]pyridine-2-carbonyl)amino]-1H-pyrazole-5-carboxylate?
tert-butyl 4-[(8-bromoimidazo[1,2-a]pyridine-2-carbonyl)amino]-1H-pyrazole-5-carboxylate has a molecular weight of 406.24 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(8-bromoimidazo[1,2-a]pyridine-2-carbonyl)amino]-1H-pyrazole-5-carboxylate is sourced from PubChem (CID 166349929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).