2-(4-bromopyrazol-1-yl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)acetamide

C12H14BrN5O — CID 86772172

IUPAC2-(4-bromopyrazol-1-yl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)acetamide
SMILESO=C(Cn1cc(Br)cn1)NC1CCc2nccn2C1
InChIInChI=1S/C12H14BrN5O/c13-9-5-15-18(6-9)8-12(19)16-10-1-2-11-14-3-4-17(11)7-10/h3-6,10H,1-2,7-8H2,(H,16,19)
InChIKeyBVRNUDDXOGMHRD-UHFFFAOYSA-N
MW324.18 g/mol
LogP0.97
Rot. Bonds3

About 2-(4-bromopyrazol-1-yl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)acetamide

2-(4-bromopyrazol-1-yl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)acetamide (PubChem CID 86772172) has the molecular formula C12H14BrN5O and a molecular weight of 324.18 g/mol. Its IUPAC name is 2-(4-bromopyrazol-1-yl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)acetamide.

Molecular Properties

Compound Name2-(4-bromopyrazol-1-yl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)acetamide
PubChem CID86772172
Molecular FormulaC12H14BrN5O
Molecular Weight324.18 g/mol
Exact Mass323.04
IUPAC Name2-(4-bromopyrazol-1-yl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)acetamide
SMILESO=C(Cn1cc(Br)cn1)NC1CCc2nccn2C1
InChIInChI=1S/C12H14BrN5O/c13-9-5-15-18(6-9)8-12(19)16-10-1-2-11-14-3-4-17(11)7-10/h3-6,10H,1-2,7-8H2,(H,16,19)
InChIKeyBVRNUDDXOGMHRD-UHFFFAOYSA-N
XLogP0.97
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.18
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromopyrazol-1-yl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)acetamide?
The IUPAC name of 2-(4-bromopyrazol-1-yl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)acetamide (CID 86772172) is 2-(4-bromopyrazol-1-yl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)acetamide.
What is the SMILES notation for 2-(4-bromopyrazol-1-yl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)acetamide?
The canonical SMILES for 2-(4-bromopyrazol-1-yl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)acetamide is O=C(Cn1cc(Br)cn1)NC1CCc2nccn2C1.
What is the InChIKey of 2-(4-bromopyrazol-1-yl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)acetamide?
The InChIKey is BVRNUDDXOGMHRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN5O/c13-9-5-15-18(6-9)8-12(19)16-10-1-2-11-14-3-4-17(11)7-10/h3-6,10H,1-2,7-8H2,(H,16,19).
What are the key properties of 2-(4-bromopyrazol-1-yl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)acetamide?
2-(4-bromopyrazol-1-yl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)acetamide has a molecular weight of 324.18 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromopyrazol-1-yl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)acetamide is sourced from PubChem (CID 86772172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).