(2R)-1-(4-bromopyrazol-1-yl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)propan-2-amine

C15H18BrN5 — CID 97229759

IUPAC(2R)-1-(4-bromopyrazol-1-yl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)propan-2-amine
SMILESC[C@H](Cn1cc(Br)cn1)NCCc1cn2ccccc2n1
InChIInChI=1S/C15H18BrN5/c1-12(9-21-10-13(16)8-18-21)17-6-5-14-11-20-7-3-2-4-15(20)19-14/h2-4,7-8,10-12,17H,5-6,9H2,1H3/t12-/m1/s1
InChIKeyUDEUCOQKABKGFA-GFCCVEGCSA-N
MW348.25 g/mol
LogP2.51
Rot. Bonds6

About (2R)-1-(4-bromopyrazol-1-yl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)propan-2-amine

(2R)-1-(4-bromopyrazol-1-yl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)propan-2-amine (PubChem CID 97229759) has the molecular formula C15H18BrN5 and a molecular weight of 348.25 g/mol. Its IUPAC name is (2R)-1-(4-bromopyrazol-1-yl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)propan-2-amine.

Molecular Properties

Compound Name(2R)-1-(4-bromopyrazol-1-yl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)propan-2-amine
PubChem CID97229759
Molecular FormulaC15H18BrN5
Molecular Weight348.25 g/mol
Exact Mass347.07
IUPAC Name(2R)-1-(4-bromopyrazol-1-yl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)propan-2-amine
SMILESC[C@H](Cn1cc(Br)cn1)NCCc1cn2ccccc2n1
InChIInChI=1S/C15H18BrN5/c1-12(9-21-10-13(16)8-18-21)17-6-5-14-11-20-7-3-2-4-15(20)19-14/h2-4,7-8,10-12,17H,5-6,9H2,1H3/t12-/m1/s1
InChIKeyUDEUCOQKABKGFA-GFCCVEGCSA-N
XLogP2.51
TPSA47.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.25
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-1-(4-methylpyrazol-1-yl)propan-2-amine
CID 95750404
(1R)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-1-(4-methoxyphenyl)ethanamine
CID 97088460
1-[(4-bromopyrazol-1-yl)methyl]-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-N-methylpyrazole-3-carboxamide
CID 19278407
1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,3-dimethylguanidine
CID 99845838
1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,3-dimethylguanidine;hydroiodide
CID 110914604
(2S)-1-[[(2R)-1-(4-bromopyrazol-1-yl)propan-2-yl]amino]-3-phenylpropan-2-ol
CID 97231624
(2R)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-pyrazol-1-ylbutan-2-amine
CID 99705994
N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4,6-dimethylpyrimidin-2-amine
CID 31537504
N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-methyl-2-[(2-phenylacetyl)amino]butanamide
CID 55518882
1-(4-bromopyrazol-1-yl)-N-(1,2-oxazol-3-ylmethyl)propan-2-amine
CID 115726379
N-[2-[2-[(4-bromopyrazol-1-yl)methyl]phenyl]ethyl]propan-2-amine
CID 115464341
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-1-phenylpropan-2-amine
CID 63011096

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-bromopyrazol-1-yl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)propan-2-amine?
The IUPAC name of (2R)-1-(4-bromopyrazol-1-yl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)propan-2-amine (CID 97229759) is (2R)-1-(4-bromopyrazol-1-yl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)propan-2-amine.
What is the SMILES notation for (2R)-1-(4-bromopyrazol-1-yl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)propan-2-amine?
The canonical SMILES for (2R)-1-(4-bromopyrazol-1-yl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)propan-2-amine is C[C@H](Cn1cc(Br)cn1)NCCc1cn2ccccc2n1.
What is the InChIKey of (2R)-1-(4-bromopyrazol-1-yl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)propan-2-amine?
The InChIKey is UDEUCOQKABKGFA-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H18BrN5/c1-12(9-21-10-13(16)8-18-21)17-6-5-14-11-20-7-3-2-4-15(20)19-14/h2-4,7-8,10-12,17H,5-6,9H2,1H3/t12-/m1/s1.
What are the key properties of (2R)-1-(4-bromopyrazol-1-yl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)propan-2-amine?
(2R)-1-(4-bromopyrazol-1-yl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)propan-2-amine has a molecular weight of 348.25 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-bromopyrazol-1-yl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)propan-2-amine is sourced from PubChem (CID 97229759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).