(2S,3R)-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-pyrazol-1-ylbutan-2-amine

C15H18ClN5 — CID 95329802

IUPAC(2S,3R)-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-pyrazol-1-ylbutan-2-amine
SMILESC[C@H](NCc1cn2cc(Cl)ccc2n1)[C@@H](C)n1cccn1
InChIInChI=1S/C15H18ClN5/c1-11(12(2)21-7-3-6-18-21)17-8-14-10-20-9-13(16)4-5-15(20)19-14/h3-7,9-12,17H,8H2,1-2H3/t11-,12+/m0/s1
InChIKeyAVROSIGQMZIIIQ-NWDGAFQWSA-N
MW303.80 g/mol
LogP2.92
Rot. Bonds5

About (2S,3R)-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-pyrazol-1-ylbutan-2-amine

(2S,3R)-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-pyrazol-1-ylbutan-2-amine (PubChem CID 95329802) has the molecular formula C15H18ClN5 and a molecular weight of 303.80 g/mol. Its IUPAC name is (2S,3R)-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-pyrazol-1-ylbutan-2-amine.

Molecular Properties

Compound Name(2S,3R)-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-pyrazol-1-ylbutan-2-amine
PubChem CID95329802
Molecular FormulaC15H18ClN5
Molecular Weight303.80 g/mol
Exact Mass303.13
IUPAC Name(2S,3R)-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-pyrazol-1-ylbutan-2-amine
SMILESC[C@H](NCc1cn2cc(Cl)ccc2n1)[C@@H](C)n1cccn1
InChIInChI=1S/C15H18ClN5/c1-11(12(2)21-7-3-6-18-21)17-8-14-10-20-9-13(16)4-5-15(20)19-14/h3-7,9-12,17H,8H2,1-2H3/t11-,12+/m0/s1
InChIKeyAVROSIGQMZIIIQ-NWDGAFQWSA-N
XLogP2.92
TPSA47.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.80
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-pyrazol-1-ylbutan-2-amine?
The IUPAC name of (2S,3R)-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-pyrazol-1-ylbutan-2-amine (CID 95329802) is (2S,3R)-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-pyrazol-1-ylbutan-2-amine.
What is the SMILES notation for (2S,3R)-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-pyrazol-1-ylbutan-2-amine?
The canonical SMILES for (2S,3R)-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-pyrazol-1-ylbutan-2-amine is C[C@H](NCc1cn2cc(Cl)ccc2n1)[C@@H](C)n1cccn1.
What is the InChIKey of (2S,3R)-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-pyrazol-1-ylbutan-2-amine?
The InChIKey is AVROSIGQMZIIIQ-NWDGAFQWSA-N. The full InChI is InChI=1S/C15H18ClN5/c1-11(12(2)21-7-3-6-18-21)17-8-14-10-20-9-13(16)4-5-15(20)19-14/h3-7,9-12,17H,8H2,1-2H3/t11-,12+/m0/s1.
What are the key properties of (2S,3R)-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-pyrazol-1-ylbutan-2-amine?
(2S,3R)-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-pyrazol-1-ylbutan-2-amine has a molecular weight of 303.80 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-pyrazol-1-ylbutan-2-amine is sourced from PubChem (CID 95329802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).