tert-butyl 5-[2-(6-chloroimidazo[1,2-a]pyridin-2-yl)propanoylamino]-3-cyclopropylpyrazole-1-carboxylate

C21H24ClN5O3 — CID 169245289

IUPACtert-butyl 5-[2-(6-chloroimidazo[1,2-a]pyridin-2-yl)propanoylamino]-3-cyclopropylpyrazole-1-carboxylate
SMILESCC(C(=O)Nc1cc(C2CC2)nn1C(=O)OC(C)(C)C)c1cn2cc(Cl)ccc2n1
InChIInChI=1S/C21H24ClN5O3/c1-12(16-11-26-10-14(22)7-8-17(26)23-16)19(28)24-18-9-15(13-5-6-13)25-27(18)20(29)30-21(2,3)4/h7-13H,5-6H2,1-4H3,(H,24,28)
InChIKeyRHYANPJFLKFJMW-UHFFFAOYSA-N
MW429.91 g/mol
LogP4.59
Rot. Bonds4

About tert-butyl 5-[2-(6-chloroimidazo[1,2-a]pyridin-2-yl)propanoylamino]-3-cyclopropylpyrazole-1-carboxylate

tert-butyl 5-[2-(6-chloroimidazo[1,2-a]pyridin-2-yl)propanoylamino]-3-cyclopropylpyrazole-1-carboxylate (PubChem CID 169245289) has the molecular formula C21H24ClN5O3 and a molecular weight of 429.91 g/mol. Its IUPAC name is tert-butyl 5-[2-(6-chloroimidazo[1,2-a]pyridin-2-yl)propanoylamino]-3-cyclopropylpyrazole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-[2-(6-chloroimidazo[1,2-a]pyridin-2-yl)propanoylamino]-3-cyclopropylpyrazole-1-carboxylate
PubChem CID169245289
Molecular FormulaC21H24ClN5O3
Molecular Weight429.91 g/mol
Exact Mass429.16
IUPAC Nametert-butyl 5-[2-(6-chloroimidazo[1,2-a]pyridin-2-yl)propanoylamino]-3-cyclopropylpyrazole-1-carboxylate
SMILESCC(C(=O)Nc1cc(C2CC2)nn1C(=O)OC(C)(C)C)c1cn2cc(Cl)ccc2n1
InChIInChI=1S/C21H24ClN5O3/c1-12(16-11-26-10-14(22)7-8-17(26)23-16)19(28)24-18-9-15(13-5-6-13)25-27(18)20(29)30-21(2,3)4/h7-13H,5-6H2,1-4H3,(H,24,28)
InChIKeyRHYANPJFLKFJMW-UHFFFAOYSA-N
XLogP4.59
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.91
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

tert-butyl 5-[2-(4-bromophenyl)propanoylamino]-3-cyclopropylpyrazole-1-carboxylate
CID 139558779
tert-butyl 3-cyclobutyl-5-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]propanoylamino]pyrazole-1-carboxylate
CID 18423585
tert-butyl 3-cyclopropyl-5-(phenoxycarbonylamino)pyrazole-1-carboxylate
CID 59394708
6-chloro-2-cyclopropylimidazo[1,2-a]pyridine
CID 915895
tert-butyl 5-amino-3-cyclopropylpyrazole-1-carboxylate
CID 11356513
tert-butyl 5-amino-3-cyclopentylpyrazole-1-carboxylate
CID 18423587
6-chloro-2-(4-methoxycyclohexyl)imidazo[1,2-a]pyridine
CID 131993654
2-chloroethyl 5-[2-[4-(2-chloroethoxycarbonylamino)phenyl]propanoylamino]-3-cyclopropylpyrazole-1-carboxylate
CID 12043816
1-(6-chloroimidazo[1,2-a]pyridin-2-yl)-N-[(2-methylpropan-2-yl)oxy]methanamine
CID 82723556
(2R)-2-[6-chloro-8-(trifluoromethoxy)imidazo[1,2-a]pyridin-2-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)propanamide
CID 169245334
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(6-fluoro-7-methylimidazo[1,2-a]pyridin-2-yl)propanamide
CID 169245199
tert-butyl 3-(6-hydroxyimidazo[1,2-a]pyridin-2-yl)piperidine-1-carboxylate
CID 130407265

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-[2-(6-chloroimidazo[1,2-a]pyridin-2-yl)propanoylamino]-3-cyclopropylpyrazole-1-carboxylate?
The IUPAC name of tert-butyl 5-[2-(6-chloroimidazo[1,2-a]pyridin-2-yl)propanoylamino]-3-cyclopropylpyrazole-1-carboxylate (CID 169245289) is tert-butyl 5-[2-(6-chloroimidazo[1,2-a]pyridin-2-yl)propanoylamino]-3-cyclopropylpyrazole-1-carboxylate.
What is the SMILES notation for tert-butyl 5-[2-(6-chloroimidazo[1,2-a]pyridin-2-yl)propanoylamino]-3-cyclopropylpyrazole-1-carboxylate?
The canonical SMILES for tert-butyl 5-[2-(6-chloroimidazo[1,2-a]pyridin-2-yl)propanoylamino]-3-cyclopropylpyrazole-1-carboxylate is CC(C(=O)Nc1cc(C2CC2)nn1C(=O)OC(C)(C)C)c1cn2cc(Cl)ccc2n1.
What is the InChIKey of tert-butyl 5-[2-(6-chloroimidazo[1,2-a]pyridin-2-yl)propanoylamino]-3-cyclopropylpyrazole-1-carboxylate?
The InChIKey is RHYANPJFLKFJMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN5O3/c1-12(16-11-26-10-14(22)7-8-17(26)23-16)19(28)24-18-9-15(13-5-6-13)25-27(18)20(29)30-21(2,3)4/h7-13H,5-6H2,1-4H3,(H,24,28).
What are the key properties of tert-butyl 5-[2-(6-chloroimidazo[1,2-a]pyridin-2-yl)propanoylamino]-3-cyclopropylpyrazole-1-carboxylate?
tert-butyl 5-[2-(6-chloroimidazo[1,2-a]pyridin-2-yl)propanoylamino]-3-cyclopropylpyrazole-1-carboxylate has a molecular weight of 429.91 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-[2-(6-chloroimidazo[1,2-a]pyridin-2-yl)propanoylamino]-3-cyclopropylpyrazole-1-carboxylate is sourced from PubChem (CID 169245289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).